Program PWSCF v.5.4.0 starts on 20Mar2017 at 22:15:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./IBrO.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 11 3 1160 556 89 Max 19 12 4 1175 576 98 Sum 1349 837 251 84057 40761 6663 bravais-lattice index = 14 lattice parameter (alat) = 6.8238 a.u. unit-cell volume = 853.3706 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.823801 celldm(2)= 1.121296 celldm(3)= 2.395181 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.121296 0.000000 ) a(3) = ( 0.000000 0.000000 2.395181 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.891825 -0.000000 ) b(3) = ( 0.000000 0.000000 0.417505 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Br 7.00 79.90400 Br( 1.00) I 7.00 126.90450 I( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 420 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0023810 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0023810 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0023810 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0023810 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0023810 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0023810 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0023810 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0023810 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0023810 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0023810 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0023810 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0023810 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0023810 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0023810 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0023810 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0023810 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0023810 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0023810 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0023810 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0023810 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0023810 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0023810 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0023810 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0023810 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0023810 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0023810 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0023810 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0023810 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0023810 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0023810 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0023810 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0023810 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0023810 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0023810 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0023810 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0023810 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0023810 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0023810 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0023810 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0023810 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0023810 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0023810 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 47) = ( 0.5000000 0.0114337 -0.0000000), wk = 0.0023810 k( 48) = ( 0.5000000 0.0228673 -0.0000000), wk = 0.0023810 k( 49) = ( 0.5000000 0.0343010 -0.0000000), wk = 0.0023810 k( 50) = ( 0.5000000 0.0457346 -0.0000000), wk = 0.0023810 k( 51) = ( 0.5000000 0.0571683 -0.0000000), wk = 0.0023810 k( 52) = ( 0.5000000 0.0686019 -0.0000000), wk = 0.0023810 k( 53) = ( 0.5000000 0.0800356 -0.0000000), wk = 0.0023810 k( 54) = ( 0.5000000 0.0914692 -0.0000000), wk = 0.0023810 k( 55) = ( 0.5000000 0.1029029 -0.0000000), wk = 0.0023810 k( 56) = ( 0.5000000 0.1143366 -0.0000000), wk = 0.0023810 k( 57) = ( 0.5000000 0.1257702 -0.0000000), wk = 0.0023810 k( 58) = ( 0.5000000 0.1372039 -0.0000000), wk = 0.0023810 k( 59) = ( 0.5000000 0.1486375 -0.0000000), wk = 0.0023810 k( 60) = ( 0.5000000 0.1600712 -0.0000000), wk = 0.0023810 k( 61) = ( 0.5000000 0.1715048 -0.0000000), wk = 0.0023810 k( 62) = ( 0.5000000 0.1829385 -0.0000000), wk = 0.0023810 k( 63) = ( 0.5000000 0.1943721 -0.0000000), wk = 0.0023810 k( 64) = ( 0.5000000 0.2058058 -0.0000000), wk = 0.0023810 k( 65) = ( 0.5000000 0.2172395 -0.0000000), wk = 0.0023810 k( 66) = ( 0.5000000 0.2286731 -0.0000000), wk = 0.0023810 k( 67) = ( 0.5000000 0.2401068 -0.0000000), wk = 0.0023810 k( 68) = ( 0.5000000 0.2515404 -0.0000000), wk = 0.0023810 k( 69) = ( 0.5000000 0.2629741 -0.0000000), wk = 0.0023810 k( 70) = ( 0.5000000 0.2744077 -0.0000000), wk = 0.0023810 k( 71) = ( 0.5000000 0.2858414 -0.0000000), wk = 0.0023810 k( 72) = ( 0.5000000 0.2972750 -0.0000000), wk = 0.0023810 k( 73) = ( 0.5000000 0.3087087 -0.0000000), wk = 0.0023810 k( 74) = ( 0.5000000 0.3201424 -0.0000000), wk = 0.0023810 k( 75) = ( 0.5000000 0.3315760 -0.0000000), wk = 0.0023810 k( 76) = ( 0.5000000 0.3430097 -0.0000000), wk = 0.0023810 k( 77) = ( 0.5000000 0.3544433 -0.0000000), wk = 0.0023810 k( 78) = ( 0.5000000 0.3658770 -0.0000000), wk = 0.0023810 k( 79) = ( 0.5000000 0.3773106 -0.0000000), wk = 0.0023810 k( 80) = ( 0.5000000 0.3887443 -0.0000000), wk = 0.0023810 k( 81) = ( 0.5000000 0.4001779 -0.0000000), wk = 0.0023810 k( 82) = ( 0.5000000 0.4116116 -0.0000000), wk = 0.0023810 k( 83) = ( 0.5000000 0.4230453 -0.0000000), wk = 0.0023810 k( 84) = ( 0.5000000 0.4344789 -0.0000000), wk = 0.0023810 k( 85) = ( 0.5000000 0.4459126 -0.0000000), wk = 0.0023810 k( 86) = ( 0.5000000 0.4459126 -0.0000000), wk = 0.0023810 k( 87) = ( 0.4886364 0.4459126 -0.0000000), wk = 0.0023810 k( 88) = ( 0.4772727 0.4459126 -0.0000000), wk = 0.0023810 k( 89) = ( 0.4659091 0.4459126 -0.0000000), wk = 0.0023810 k( 90) = ( 0.4545455 0.4459126 -0.0000000), wk = 0.0023810 k( 91) = ( 0.4431818 0.4459126 -0.0000000), wk = 0.0023810 k( 92) = ( 0.4318182 0.4459126 -0.0000000), wk = 0.0023810 k( 93) = ( 0.4204545 0.4459126 -0.0000000), wk = 0.0023810 k( 94) = ( 0.4090909 0.4459126 -0.0000000), wk = 0.0023810 k( 95) = ( 0.3977273 0.4459126 -0.0000000), wk = 0.0023810 k( 96) = ( 0.3863636 0.4459126 -0.0000000), wk = 0.0023810 k( 97) = ( 0.3750000 0.4459126 -0.0000000), wk = 0.0023810 k( 98) = ( 0.3636364 0.4459126 -0.0000000), wk = 0.0023810 k( 99) = ( 0.3522727 0.4459126 -0.0000000), wk = 0.0023810 k( 100) = ( 0.3409091 0.4459126 -0.0000000), wk = 0.0023810 k( 101) = ( 0.3295455 0.4459126 -0.0000000), wk = 0.0023810 k( 102) = ( 0.3181818 0.4459126 -0.0000000), wk = 0.0023810 k( 103) = ( 0.3068182 0.4459126 -0.0000000), wk = 0.0023810 k( 104) = ( 0.2954545 0.4459126 -0.0000000), wk = 0.0023810 k( 105) = ( 0.2840909 0.4459126 -0.0000000), wk = 0.0023810 k( 106) = ( 0.2727273 0.4459126 -0.0000000), wk = 0.0023810 k( 107) = ( 0.2613636 0.4459126 -0.0000000), wk = 0.0023810 k( 108) = ( 0.2500000 0.4459126 -0.0000000), wk = 0.0023810 k( 109) = ( 0.2386364 0.4459126 -0.0000000), wk = 0.0023810 k( 110) = ( 0.2272727 0.4459126 -0.0000000), wk = 0.0023810 k( 111) = ( 0.2159091 0.4459126 -0.0000000), wk = 0.0023810 k( 112) = ( 0.2045454 0.4459126 -0.0000000), wk = 0.0023810 k( 113) = ( 0.1931818 0.4459126 -0.0000000), wk = 0.0023810 k( 114) = ( 0.1818182 0.4459126 -0.0000000), wk = 0.0023810 k( 115) = ( 0.1704546 0.4459126 -0.0000000), wk = 0.0023810 k( 116) = ( 0.1590909 0.4459126 -0.0000000), wk = 0.0023810 k( 117) = ( 0.1477273 0.4459126 -0.0000000), wk = 0.0023810 k( 118) = ( 0.1363636 0.4459126 -0.0000000), wk = 0.0023810 k( 119) = ( 0.1250000 0.4459126 -0.0000000), wk = 0.0023810 k( 120) = ( 0.1136364 0.4459126 -0.0000000), wk = 0.0023810 k( 121) = ( 0.1022727 0.4459126 -0.0000000), wk = 0.0023810 k( 122) = ( 0.0909091 0.4459126 -0.0000000), wk = 0.0023810 k( 123) = ( 0.0795455 0.4459126 -0.0000000), wk = 0.0023810 k( 124) = ( 0.0681818 0.4459126 -0.0000000), wk = 0.0023810 k( 125) = ( 0.0568182 0.4459126 -0.0000000), wk = 0.0023810 k( 126) = ( 0.0454546 0.4459126 -0.0000000), wk = 0.0023810 k( 127) = ( 0.0340909 0.4459126 -0.0000000), wk = 0.0023810 k( 128) = ( 0.0227273 0.4459126 -0.0000000), wk = 0.0023810 k( 129) = ( 0.0113636 0.4459126 -0.0000000), wk = 0.0023810 k( 130) = ( 0.0000000 0.4459126 -0.0000000), wk = 0.0023810 k( 131) = ( 0.0000000 0.4459126 -0.0000000), wk = 0.0023810 k( 132) = ( 0.0000000 0.4344789 -0.0000000), wk = 0.0023810 k( 133) = ( 0.0000000 0.4230453 -0.0000000), wk = 0.0023810 k( 134) = ( 0.0000000 0.4116116 -0.0000000), wk = 0.0023810 k( 135) = ( 0.0000000 0.4001779 -0.0000000), wk = 0.0023810 k( 136) = ( 0.0000000 0.3887443 -0.0000000), wk = 0.0023810 k( 137) = ( 0.0000000 0.3773106 -0.0000000), wk = 0.0023810 k( 138) = ( 0.0000000 0.3658770 -0.0000000), wk = 0.0023810 k( 139) = ( 0.0000000 0.3544433 -0.0000000), wk = 0.0023810 k( 140) = ( 0.0000000 0.3430097 -0.0000000), wk = 0.0023810 k( 141) = ( 0.0000000 0.3315760 -0.0000000), wk = 0.0023810 k( 142) = ( 0.0000000 0.3201424 -0.0000000), wk = 0.0023810 k( 143) = ( 0.0000000 0.3087087 -0.0000000), wk = 0.0023810 k( 144) = ( 0.0000000 0.2972750 -0.0000000), wk = 0.0023810 k( 145) = ( 0.0000000 0.2858414 -0.0000000), wk = 0.0023810 k( 146) = ( 0.0000000 0.2744077 -0.0000000), wk = 0.0023810 k( 147) = ( 0.0000000 0.2629741 -0.0000000), wk = 0.0023810 k( 148) = ( 0.0000000 0.2515404 -0.0000000), wk = 0.0023810 k( 149) = ( 0.0000000 0.2401068 -0.0000000), wk = 0.0023810 k( 150) = ( 0.0000000 0.2286731 -0.0000000), wk = 0.0023810 k( 151) = ( 0.0000000 0.2172395 -0.0000000), wk = 0.0023810 k( 152) = ( 0.0000000 0.2058058 -0.0000000), wk = 0.0023810 k( 153) = ( 0.0000000 0.1943721 -0.0000000), wk = 0.0023810 k( 154) = ( 0.0000000 0.1829385 -0.0000000), wk = 0.0023810 k( 155) = ( 0.0000000 0.1715048 -0.0000000), wk = 0.0023810 k( 156) = ( 0.0000000 0.1600712 -0.0000000), wk = 0.0023810 k( 157) = ( 0.0000000 0.1486375 -0.0000000), wk = 0.0023810 k( 158) = ( 0.0000000 0.1372039 -0.0000000), wk = 0.0023810 k( 159) = ( 0.0000000 0.1257702 -0.0000000), wk = 0.0023810 k( 160) = ( 0.0000000 0.1143366 -0.0000000), wk = 0.0023810 k( 161) = ( 0.0000000 0.1029029 -0.0000000), wk = 0.0023810 k( 162) = ( 0.0000000 0.0914692 -0.0000000), wk = 0.0023810 k( 163) = ( 0.0000000 0.0800356 -0.0000000), wk = 0.0023810 k( 164) = ( 0.0000000 0.0686019 -0.0000000), wk = 0.0023810 k( 165) = ( 0.0000000 0.0571683 -0.0000000), wk = 0.0023810 k( 166) = ( 0.0000000 0.0457346 -0.0000000), wk = 0.0023810 k( 167) = ( 0.0000000 0.0343010 -0.0000000), wk = 0.0023810 k( 168) = ( 0.0000000 0.0228673 -0.0000000), wk = 0.0023810 k( 169) = ( 0.0000000 0.0114337 -0.0000000), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.0109870), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.0219739), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.0329609), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.0439479), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.0549349), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.0659218), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.0769088), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.0878958), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.0988827), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.1098697), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.1208567), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.1318437), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.1428306), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.1538176), wk = 0.0023810 k( 186) = ( 0.0000000 0.0000000 0.1648046), wk = 0.0023810 k( 187) = ( 0.0000000 0.0000000 0.1757915), wk = 0.0023810 k( 188) = ( 0.0000000 0.0000000 0.1867785), wk = 0.0023810 k( 189) = ( 0.0000000 0.0000000 0.1977655), wk = 0.0023810 k( 190) = ( 0.0000000 0.0000000 0.2087525), wk = 0.0023810 k( 191) = ( 0.0000000 0.0000000 0.2087525), wk = 0.0023810 k( 192) = ( 0.0113636 -0.0000000 0.2087525), wk = 0.0023810 k( 193) = ( 0.0227273 -0.0000000 0.2087525), wk = 0.0023810 k( 194) = ( 0.0340909 -0.0000000 0.2087525), wk = 0.0023810 k( 195) = ( 0.0454546 -0.0000000 0.2087525), wk = 0.0023810 k( 196) = ( 0.0568182 -0.0000000 0.2087525), wk = 0.0023810 k( 197) = ( 0.0681818 -0.0000000 0.2087525), wk = 0.0023810 k( 198) = ( 0.0795455 -0.0000000 0.2087525), wk = 0.0023810 k( 199) = ( 0.0909091 -0.0000000 0.2087525), wk = 0.0023810 k( 200) = ( 0.1022727 -0.0000000 0.2087525), wk = 0.0023810 k( 201) = ( 0.1136364 -0.0000000 0.2087525), wk = 0.0023810 k( 202) = ( 0.1250000 -0.0000000 0.2087525), wk = 0.0023810 k( 203) = ( 0.1363636 -0.0000000 0.2087525), wk = 0.0023810 k( 204) = ( 0.1477273 -0.0000000 0.2087525), wk = 0.0023810 k( 205) = ( 0.1590909 -0.0000000 0.2087525), wk = 0.0023810 k( 206) = ( 0.1704546 -0.0000000 0.2087525), wk = 0.0023810 k( 207) = ( 0.1818182 -0.0000000 0.2087525), wk = 0.0023810 k( 208) = ( 0.1931818 -0.0000000 0.2087525), wk = 0.0023810 k( 209) = ( 0.2045454 -0.0000000 0.2087525), wk = 0.0023810 k( 210) = ( 0.2159091 -0.0000000 0.2087525), wk = 0.0023810 k( 211) = ( 0.2272727 -0.0000000 0.2087525), wk = 0.0023810 k( 212) = ( 0.2386364 -0.0000000 0.2087525), wk = 0.0023810 k( 213) = ( 0.2500000 -0.0000000 0.2087525), wk = 0.0023810 k( 214) = ( 0.2613636 -0.0000000 0.2087525), wk = 0.0023810 k( 215) = ( 0.2727273 -0.0000000 0.2087525), wk = 0.0023810 k( 216) = ( 0.2840909 -0.0000000 0.2087525), wk = 0.0023810 k( 217) = ( 0.2954545 -0.0000000 0.2087525), wk = 0.0023810 k( 218) = ( 0.3068182 -0.0000000 0.2087525), wk = 0.0023810 k( 219) = ( 0.3181818 -0.0000000 0.2087525), wk = 0.0023810 k( 220) = ( 0.3295455 -0.0000000 0.2087525), wk = 0.0023810 k( 221) = ( 0.3409091 -0.0000000 0.2087525), wk = 0.0023810 k( 222) = ( 0.3522727 -0.0000000 0.2087525), wk = 0.0023810 k( 223) = ( 0.3636364 -0.0000000 0.2087525), wk = 0.0023810 k( 224) = ( 0.3750000 -0.0000000 0.2087525), wk = 0.0023810 k( 225) = ( 0.3863636 -0.0000000 0.2087525), wk = 0.0023810 k( 226) = ( 0.3977273 -0.0000000 0.2087525), wk = 0.0023810 k( 227) = ( 0.4090909 -0.0000000 0.2087525), wk = 0.0023810 k( 228) = ( 0.4204545 -0.0000000 0.2087525), wk = 0.0023810 k( 229) = ( 0.4318182 -0.0000000 0.2087525), wk = 0.0023810 k( 230) = ( 0.4431818 -0.0000000 0.2087525), wk = 0.0023810 k( 231) = ( 0.4545455 -0.0000000 0.2087525), wk = 0.0023810 k( 232) = ( 0.4659091 -0.0000000 0.2087525), wk = 0.0023810 k( 233) = ( 0.4772727 -0.0000000 0.2087525), wk = 0.0023810 k( 234) = ( 0.4886364 -0.0000000 0.2087525), wk = 0.0023810 k( 235) = ( 0.5000000 -0.0000000 0.2087525), wk = 0.0023810 k( 236) = ( 0.5000000 -0.0000000 0.2087525), wk = 0.0023810 k( 237) = ( 0.5000000 0.0114337 0.2087525), wk = 0.0023810 k( 238) = ( 0.5000000 0.0228673 0.2087525), wk = 0.0023810 k( 239) = ( 0.5000000 0.0343010 0.2087525), wk = 0.0023810 k( 240) = ( 0.5000000 0.0457346 0.2087525), wk = 0.0023810 k( 241) = ( 0.5000000 0.0571683 0.2087525), wk = 0.0023810 k( 242) = ( 0.5000000 0.0686019 0.2087525), wk = 0.0023810 k( 243) = ( 0.5000000 0.0800356 0.2087525), wk = 0.0023810 k( 244) = ( 0.5000000 0.0914692 0.2087525), wk = 0.0023810 k( 245) = ( 0.5000000 0.1029029 0.2087525), wk = 0.0023810 k( 246) = ( 0.5000000 0.1143366 0.2087525), wk = 0.0023810 k( 247) = ( 0.5000000 0.1257702 0.2087525), wk = 0.0023810 k( 248) = ( 0.5000000 0.1372039 0.2087525), wk = 0.0023810 k( 249) = ( 0.5000000 0.1486375 0.2087525), wk = 0.0023810 k( 250) = ( 0.5000000 0.1600712 0.2087525), wk = 0.0023810 k( 251) = ( 0.5000000 0.1715048 0.2087525), wk = 0.0023810 k( 252) = ( 0.5000000 0.1829385 0.2087525), wk = 0.0023810 k( 253) = ( 0.5000000 0.1943721 0.2087525), wk = 0.0023810 k( 254) = ( 0.5000000 0.2058058 0.2087525), wk = 0.0023810 k( 255) = ( 0.5000000 0.2172395 0.2087525), wk = 0.0023810 k( 256) = ( 0.5000000 0.2286731 0.2087525), wk = 0.0023810 k( 257) = ( 0.5000000 0.2401068 0.2087525), wk = 0.0023810 k( 258) = ( 0.5000000 0.2515404 0.2087525), wk = 0.0023810 k( 259) = ( 0.5000000 0.2629741 0.2087525), wk = 0.0023810 k( 260) = ( 0.5000000 0.2744077 0.2087525), wk = 0.0023810 k( 261) = ( 0.5000000 0.2858414 0.2087525), wk = 0.0023810 k( 262) = ( 0.5000000 0.2972750 0.2087525), wk = 0.0023810 k( 263) = ( 0.5000000 0.3087087 0.2087525), wk = 0.0023810 k( 264) = ( 0.5000000 0.3201424 0.2087525), wk = 0.0023810 k( 265) = ( 0.5000000 0.3315760 0.2087525), wk = 0.0023810 k( 266) = ( 0.5000000 0.3430097 0.2087525), wk = 0.0023810 k( 267) = ( 0.5000000 0.3544433 0.2087525), wk = 0.0023810 k( 268) = ( 0.5000000 0.3658770 0.2087525), wk = 0.0023810 k( 269) = ( 0.5000000 0.3773106 0.2087525), wk = 0.0023810 k( 270) = ( 0.5000000 0.3887443 0.2087525), wk = 0.0023810 k( 271) = ( 0.5000000 0.4001779 0.2087525), wk = 0.0023810 k( 272) = ( 0.5000000 0.4116116 0.2087525), wk = 0.0023810 k( 273) = ( 0.5000000 0.4230453 0.2087525), wk = 0.0023810 k( 274) = ( 0.5000000 0.4344789 0.2087525), wk = 0.0023810 k( 275) = ( 0.5000000 0.4459126 0.2087525), wk = 0.0023810 k( 276) = ( 0.5000000 0.4459126 0.2087525), wk = 0.0023810 k( 277) = ( 0.4886364 0.4459126 0.2087525), wk = 0.0023810 k( 278) = ( 0.4772727 0.4459126 0.2087525), wk = 0.0023810 k( 279) = ( 0.4659091 0.4459126 0.2087525), wk = 0.0023810 k( 280) = ( 0.4545455 0.4459126 0.2087525), wk = 0.0023810 k( 281) = ( 0.4431818 0.4459126 0.2087525), wk = 0.0023810 k( 282) = ( 0.4318182 0.4459126 0.2087525), wk = 0.0023810 k( 283) = ( 0.4204545 0.4459126 0.2087525), wk = 0.0023810 k( 284) = ( 0.4090909 0.4459126 0.2087525), wk = 0.0023810 k( 285) = ( 0.3977273 0.4459126 0.2087525), wk = 0.0023810 k( 286) = ( 0.3863636 0.4459126 0.2087525), wk = 0.0023810 k( 287) = ( 0.3750000 0.4459126 0.2087525), wk = 0.0023810 k( 288) = ( 0.3636364 0.4459126 0.2087525), wk = 0.0023810 k( 289) = ( 0.3522727 0.4459126 0.2087525), wk = 0.0023810 k( 290) = ( 0.3409091 0.4459126 0.2087525), wk = 0.0023810 k( 291) = ( 0.3295455 0.4459126 0.2087525), wk = 0.0023810 k( 292) = ( 0.3181818 0.4459126 0.2087525), wk = 0.0023810 k( 293) = ( 0.3068182 0.4459126 0.2087525), wk = 0.0023810 k( 294) = ( 0.2954545 0.4459126 0.2087525), wk = 0.0023810 k( 295) = ( 0.2840909 0.4459126 0.2087525), wk = 0.0023810 k( 296) = ( 0.2727273 0.4459126 0.2087525), wk = 0.0023810 k( 297) = ( 0.2613636 0.4459126 0.2087525), wk = 0.0023810 k( 298) = ( 0.2500000 0.4459126 0.2087525), wk = 0.0023810 k( 299) = ( 0.2386364 0.4459126 0.2087525), wk = 0.0023810 k( 300) = ( 0.2272727 0.4459126 0.2087525), wk = 0.0023810 k( 301) = ( 0.2159091 0.4459126 0.2087525), wk = 0.0023810 k( 302) = ( 0.2045454 0.4459126 0.2087525), wk = 0.0023810 k( 303) = ( 0.1931818 0.4459126 0.2087525), wk = 0.0023810 k( 304) = ( 0.1818182 0.4459126 0.2087525), wk = 0.0023810 k( 305) = ( 0.1704546 0.4459126 0.2087525), wk = 0.0023810 k( 306) = ( 0.1590909 0.4459126 0.2087525), wk = 0.0023810 k( 307) = ( 0.1477273 0.4459126 0.2087525), wk = 0.0023810 k( 308) = ( 0.1363636 0.4459126 0.2087525), wk = 0.0023810 k( 309) = ( 0.1250000 0.4459126 0.2087525), wk = 0.0023810 k( 310) = ( 0.1136364 0.4459126 0.2087525), wk = 0.0023810 k( 311) = ( 0.1022727 0.4459126 0.2087525), wk = 0.0023810 k( 312) = ( 0.0909091 0.4459126 0.2087525), wk = 0.0023810 k( 313) = ( 0.0795455 0.4459126 0.2087525), wk = 0.0023810 k( 314) = ( 0.0681818 0.4459126 0.2087525), wk = 0.0023810 k( 315) = ( 0.0568182 0.4459126 0.2087525), wk = 0.0023810 k( 316) = ( 0.0454546 0.4459126 0.2087525), wk = 0.0023810 k( 317) = ( 0.0340909 0.4459126 0.2087525), wk = 0.0023810 k( 318) = ( 0.0227273 0.4459126 0.2087525), wk = 0.0023810 k( 319) = ( 0.0113636 0.4459126 0.2087525), wk = 0.0023810 k( 320) = ( 0.0000000 0.4459126 0.2087525), wk = 0.0023810 k( 321) = ( 0.0000000 0.4459126 0.2087525), wk = 0.0023810 k( 322) = ( 0.0000000 0.4344789 0.2087525), wk = 0.0023810 k( 323) = ( 0.0000000 0.4230453 0.2087525), wk = 0.0023810 k( 324) = ( 0.0000000 0.4116116 0.2087525), wk = 0.0023810 k( 325) = ( 0.0000000 0.4001779 0.2087525), wk = 0.0023810 k( 326) = ( 0.0000000 0.3887443 0.2087525), wk = 0.0023810 k( 327) = ( 0.0000000 0.3773106 0.2087525), wk = 0.0023810 k( 328) = ( 0.0000000 0.3658770 0.2087525), wk = 0.0023810 k( 329) = ( 0.0000000 0.3544433 0.2087525), wk = 0.0023810 k( 330) = ( 0.0000000 0.3430097 0.2087525), wk = 0.0023810 k( 331) = ( 0.0000000 0.3315760 0.2087525), wk = 0.0023810 k( 332) = ( 0.0000000 0.3201424 0.2087525), wk = 0.0023810 k( 333) = ( 0.0000000 0.3087087 0.2087525), wk = 0.0023810 k( 334) = ( 0.0000000 0.2972750 0.2087525), wk = 0.0023810 k( 335) = ( 0.0000000 0.2858414 0.2087525), wk = 0.0023810 k( 336) = ( 0.0000000 0.2744077 0.2087525), wk = 0.0023810 k( 337) = ( 0.0000000 0.2629741 0.2087525), wk = 0.0023810 k( 338) = ( 0.0000000 0.2515404 0.2087525), wk = 0.0023810 k( 339) = ( 0.0000000 0.2401068 0.2087525), wk = 0.0023810 k( 340) = ( 0.0000000 0.2286731 0.2087525), wk = 0.0023810 k( 341) = ( 0.0000000 0.2172395 0.2087525), wk = 0.0023810 k( 342) = ( 0.0000000 0.2058058 0.2087525), wk = 0.0023810 k( 343) = ( 0.0000000 0.1943721 0.2087525), wk = 0.0023810 k( 344) = ( 0.0000000 0.1829385 0.2087525), wk = 0.0023810 k( 345) = ( 0.0000000 0.1715048 0.2087525), wk = 0.0023810 k( 346) = ( 0.0000000 0.1600712 0.2087525), wk = 0.0023810 k( 347) = ( 0.0000000 0.1486375 0.2087525), wk = 0.0023810 k( 348) = ( 0.0000000 0.1372039 0.2087525), wk = 0.0023810 k( 349) = ( 0.0000000 0.1257702 0.2087525), wk = 0.0023810 k( 350) = ( 0.0000000 0.1143366 0.2087525), wk = 0.0023810 k( 351) = ( 0.0000000 0.1029029 0.2087525), wk = 0.0023810 k( 352) = ( 0.0000000 0.0914692 0.2087525), wk = 0.0023810 k( 353) = ( 0.0000000 0.0800356 0.2087525), wk = 0.0023810 k( 354) = ( 0.0000000 0.0686019 0.2087525), wk = 0.0023810 k( 355) = ( 0.0000000 0.0571683 0.2087525), wk = 0.0023810 k( 356) = ( 0.0000000 0.0457346 0.2087525), wk = 0.0023810 k( 357) = ( 0.0000000 0.0343010 0.2087525), wk = 0.0023810 k( 358) = ( 0.0000000 0.0228673 0.2087525), wk = 0.0023810 k( 359) = ( 0.0000000 0.0114337 0.2087525), wk = 0.0023810 k( 360) = ( 0.0000000 0.0000000 0.2087525), wk = 0.0023810 k( 361) = ( 0.0000000 0.4459126 -0.0000000), wk = 0.0023810 k( 362) = ( 0.0000000 0.4459126 0.0109870), wk = 0.0023810 k( 363) = ( 0.0000000 0.4459126 0.0219739), wk = 0.0023810 k( 364) = ( 0.0000000 0.4459126 0.0329609), wk = 0.0023810 k( 365) = ( 0.0000000 0.4459126 0.0439479), wk = 0.0023810 k( 366) = ( 0.0000000 0.4459126 0.0549349), wk = 0.0023810 k( 367) = ( 0.0000000 0.4459126 0.0659218), wk = 0.0023810 k( 368) = ( 0.0000000 0.4459126 0.0769088), wk = 0.0023810 k( 369) = ( 0.0000000 0.4459126 0.0878958), wk = 0.0023810 k( 370) = ( 0.0000000 0.4459126 0.0988827), wk = 0.0023810 k( 371) = ( 0.0000000 0.4459126 0.1098697), wk = 0.0023810 k( 372) = ( 0.0000000 0.4459126 0.1208567), wk = 0.0023810 k( 373) = ( 0.0000000 0.4459126 0.1318437), wk = 0.0023810 k( 374) = ( 0.0000000 0.4459126 0.1428306), wk = 0.0023810 k( 375) = ( 0.0000000 0.4459126 0.1538176), wk = 0.0023810 k( 376) = ( 0.0000000 0.4459126 0.1648046), wk = 0.0023810 k( 377) = ( 0.0000000 0.4459126 0.1757915), wk = 0.0023810 k( 378) = ( 0.0000000 0.4459126 0.1867785), wk = 0.0023810 k( 379) = ( 0.0000000 0.4459126 0.1977655), wk = 0.0023810 k( 380) = ( 0.0000000 0.4459126 0.2087525), wk = 0.0023810 k( 381) = ( 0.5000000 -0.0000000 0.2087525), wk = 0.0023810 k( 382) = ( 0.5000000 -0.0000000 0.1977655), wk = 0.0023810 k( 383) = ( 0.5000000 -0.0000000 0.1867785), wk = 0.0023810 k( 384) = ( 0.5000000 -0.0000000 0.1757915), wk = 0.0023810 k( 385) = ( 0.5000000 -0.0000000 0.1648046), wk = 0.0023810 k( 386) = ( 0.5000000 -0.0000000 0.1538176), wk = 0.0023810 k( 387) = ( 0.5000000 -0.0000000 0.1428306), wk = 0.0023810 k( 388) = ( 0.5000000 -0.0000000 0.1318437), wk = 0.0023810 k( 389) = ( 0.5000000 -0.0000000 0.1208567), wk = 0.0023810 k( 390) = ( 0.5000000 -0.0000000 0.1098697), wk = 0.0023810 k( 391) = ( 0.5000000 -0.0000000 0.0988827), wk = 0.0023810 k( 392) = ( 0.5000000 -0.0000000 0.0878958), wk = 0.0023810 k( 393) = ( 0.5000000 -0.0000000 0.0769088), wk = 0.0023810 k( 394) = ( 0.5000000 -0.0000000 0.0659218), wk = 0.0023810 k( 395) = ( 0.5000000 -0.0000000 0.0549349), wk = 0.0023810 k( 396) = ( 0.5000000 -0.0000000 0.0439479), wk = 0.0023810 k( 397) = ( 0.5000000 -0.0000000 0.0329609), wk = 0.0023810 k( 398) = ( 0.5000000 -0.0000000 0.0219739), wk = 0.0023810 k( 399) = ( 0.5000000 -0.0000000 0.0109870), wk = 0.0023810 k( 400) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 401) = ( 0.5000000 0.4459126 -0.0000000), wk = 0.0023810 k( 402) = ( 0.5000000 0.4459126 0.0109870), wk = 0.0023810 k( 403) = ( 0.5000000 0.4459126 0.0219739), wk = 0.0023810 k( 404) = ( 0.5000000 0.4459126 0.0329609), wk = 0.0023810 k( 405) = ( 0.5000000 0.4459126 0.0439479), wk = 0.0023810 k( 406) = ( 0.5000000 0.4459126 0.0549349), wk = 0.0023810 k( 407) = ( 0.5000000 0.4459126 0.0659218), wk = 0.0023810 k( 408) = ( 0.5000000 0.4459126 0.0769088), wk = 0.0023810 k( 409) = ( 0.5000000 0.4459126 0.0878958), wk = 0.0023810 k( 410) = ( 0.5000000 0.4459126 0.0988827), wk = 0.0023810 k( 411) = ( 0.5000000 0.4459126 0.1098697), wk = 0.0023810 k( 412) = ( 0.5000000 0.4459126 0.1208567), wk = 0.0023810 k( 413) = ( 0.5000000 0.4459126 0.1318437), wk = 0.0023810 k( 414) = ( 0.5000000 0.4459126 0.1428306), wk = 0.0023810 k( 415) = ( 0.5000000 0.4459126 0.1538176), wk = 0.0023810 k( 416) = ( 0.5000000 0.4459126 0.1648046), wk = 0.0023810 k( 417) = ( 0.5000000 0.4459126 0.1757915), wk = 0.0023810 k( 418) = ( 0.5000000 0.4459126 0.1867785), wk = 0.0023810 k( 419) = ( 0.5000000 0.4459126 0.1977655), wk = 0.0023810 k( 420) = ( 0.5000000 0.4459126 0.2087525), wk = 0.0023810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0023810 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0023810 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0023810 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0023810 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0023810 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0023810 k( 8) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0023810 k( 9) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0023810 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0023810 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0023810 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0023810 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0023810 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0023810 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0023810 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0023810 k( 17) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0023810 k( 18) = ( 0.1931818 0.0000000 -0.0000000), wk = 0.0023810 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0023810 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0023810 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0023810 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0023810 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023810 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0023810 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0023810 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0023810 k( 27) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0023810 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0023810 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0023810 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0023810 k( 31) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0023810 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0023810 k( 33) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0023810 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0023810 k( 35) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0023810 k( 36) = ( 0.3977273 -0.0000000 0.0000000), wk = 0.0023810 k( 37) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0023810 k( 38) = ( 0.4204545 -0.0000000 0.0000000), wk = 0.0023810 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0023810 k( 40) = ( 0.4431818 -0.0000000 0.0000000), wk = 0.0023810 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0023810 k( 42) = ( 0.4659091 0.0000000 -0.0000000), wk = 0.0023810 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0023810 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0023810 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 47) = ( 0.5000000 0.0128205 0.0000000), wk = 0.0023810 k( 48) = ( 0.5000000 0.0256410 0.0000000), wk = 0.0023810 k( 49) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0023810 k( 50) = ( 0.5000000 0.0512821 -0.0000000), wk = 0.0023810 k( 51) = ( 0.5000000 0.0641026 -0.0000000), wk = 0.0023810 k( 52) = ( 0.5000000 0.0769231 -0.0000000), wk = 0.0023810 k( 53) = ( 0.5000000 0.0897436 0.0000000), wk = 0.0023810 k( 54) = ( 0.5000000 0.1025641 0.0000000), wk = 0.0023810 k( 55) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0023810 k( 56) = ( 0.5000000 0.1282051 -0.0000000), wk = 0.0023810 k( 57) = ( 0.5000000 0.1410256 0.0000000), wk = 0.0023810 k( 58) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0023810 k( 59) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0023810 k( 60) = ( 0.5000000 0.1794872 -0.0000000), wk = 0.0023810 k( 61) = ( 0.5000000 0.1923077 -0.0000000), wk = 0.0023810 k( 62) = ( 0.5000000 0.2051282 0.0000000), wk = 0.0023810 k( 63) = ( 0.5000000 0.2179487 -0.0000000), wk = 0.0023810 k( 64) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0023810 k( 65) = ( 0.5000000 0.2435897 0.0000000), wk = 0.0023810 k( 66) = ( 0.5000000 0.2564103 -0.0000000), wk = 0.0023810 k( 67) = ( 0.5000000 0.2692308 -0.0000000), wk = 0.0023810 k( 68) = ( 0.5000000 0.2820513 -0.0000000), wk = 0.0023810 k( 69) = ( 0.5000000 0.2948718 -0.0000000), wk = 0.0023810 k( 70) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0023810 k( 71) = ( 0.5000000 0.3205128 0.0000000), wk = 0.0023810 k( 72) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0023810 k( 73) = ( 0.5000000 0.3461538 0.0000000), wk = 0.0023810 k( 74) = ( 0.5000000 0.3589744 0.0000000), wk = 0.0023810 k( 75) = ( 0.5000000 0.3717949 -0.0000000), wk = 0.0023810 k( 76) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0023810 k( 77) = ( 0.5000000 0.3974359 0.0000000), wk = 0.0023810 k( 78) = ( 0.5000000 0.4102564 0.0000000), wk = 0.0023810 k( 79) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0023810 k( 80) = ( 0.5000000 0.4358974 -0.0000000), wk = 0.0023810 k( 81) = ( 0.5000000 0.4487179 -0.0000000), wk = 0.0023810 k( 82) = ( 0.5000000 0.4615385 0.0000000), wk = 0.0023810 k( 83) = ( 0.5000000 0.4743590 0.0000000), wk = 0.0023810 k( 84) = ( 0.5000000 0.4871795 -0.0000000), wk = 0.0023810 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 87) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0023810 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0023810 k( 89) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0023810 k( 90) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0023810 k( 91) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0023810 k( 92) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0023810 k( 93) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0023810 k( 94) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0023810 k( 95) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0023810 k( 96) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0023810 k( 97) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0023810 k( 98) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0023810 k( 99) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0023810 k( 100) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0023810 k( 101) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0023810 k( 102) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0023810 k( 103) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0023810 k( 104) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0023810 k( 105) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0023810 k( 106) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0023810 k( 107) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0023810 k( 108) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0023810 k( 109) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0023810 k( 110) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0023810 k( 111) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0023810 k( 112) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0023810 k( 113) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0023810 k( 114) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0023810 k( 115) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0023810 k( 116) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0023810 k( 117) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0023810 k( 118) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0023810 k( 119) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0023810 k( 120) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0023810 k( 121) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0023810 k( 122) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0023810 k( 123) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0023810 k( 124) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0023810 k( 125) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0023810 k( 126) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0023810 k( 127) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0023810 k( 128) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0023810 k( 129) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0023810 k( 130) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 131) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 132) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0023810 k( 133) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0023810 k( 134) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0023810 k( 135) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0023810 k( 136) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0023810 k( 137) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0023810 k( 138) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0023810 k( 139) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0023810 k( 140) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0023810 k( 141) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0023810 k( 142) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0023810 k( 143) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0023810 k( 144) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0023810 k( 145) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0023810 k( 146) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0023810 k( 147) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0023810 k( 148) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0023810 k( 149) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0023810 k( 150) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0023810 k( 151) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0023810 k( 152) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0023810 k( 153) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0023810 k( 154) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0023810 k( 155) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0023810 k( 156) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0023810 k( 157) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0023810 k( 158) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0023810 k( 159) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0023810 k( 160) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0023810 k( 161) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0023810 k( 162) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0023810 k( 163) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0023810 k( 164) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0023810 k( 165) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0023810 k( 166) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0023810 k( 167) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0023810 k( 168) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0023810 k( 169) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0023810 k( 186) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0023810 k( 187) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0023810 k( 188) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0023810 k( 189) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0023810 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 192) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0023810 k( 193) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0023810 k( 194) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0023810 k( 195) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0023810 k( 196) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0023810 k( 197) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0023810 k( 198) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0023810 k( 199) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0023810 k( 200) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0023810 k( 201) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0023810 k( 202) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0023810 k( 203) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0023810 k( 204) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0023810 k( 205) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0023810 k( 206) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0023810 k( 207) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0023810 k( 208) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0023810 k( 209) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0023810 k( 210) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0023810 k( 211) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0023810 k( 212) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0023810 k( 213) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023810 k( 214) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0023810 k( 215) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0023810 k( 216) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0023810 k( 217) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0023810 k( 218) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0023810 k( 219) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0023810 k( 220) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0023810 k( 221) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0023810 k( 222) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0023810 k( 223) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0023810 k( 224) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0023810 k( 225) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0023810 k( 226) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0023810 k( 227) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0023810 k( 228) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0023810 k( 229) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0023810 k( 230) = ( 0.4431818 -0.0000000 0.5000000), wk = 0.0023810 k( 231) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0023810 k( 232) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0023810 k( 233) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0023810 k( 234) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0023810 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 237) = ( 0.5000000 0.0128205 0.5000000), wk = 0.0023810 k( 238) = ( 0.5000000 0.0256410 0.5000000), wk = 0.0023810 k( 239) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0023810 k( 240) = ( 0.5000000 0.0512821 0.5000000), wk = 0.0023810 k( 241) = ( 0.5000000 0.0641026 0.5000000), wk = 0.0023810 k( 242) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0023810 k( 243) = ( 0.5000000 0.0897436 0.5000000), wk = 0.0023810 k( 244) = ( 0.5000000 0.1025641 0.5000000), wk = 0.0023810 k( 245) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0023810 k( 246) = ( 0.5000000 0.1282051 0.5000000), wk = 0.0023810 k( 247) = ( 0.5000000 0.1410256 0.5000000), wk = 0.0023810 k( 248) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0023810 k( 249) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023810 k( 250) = ( 0.5000000 0.1794872 0.5000000), wk = 0.0023810 k( 251) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0023810 k( 252) = ( 0.5000000 0.2051282 0.5000000), wk = 0.0023810 k( 253) = ( 0.5000000 0.2179487 0.5000000), wk = 0.0023810 k( 254) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0023810 k( 255) = ( 0.5000000 0.2435897 0.5000000), wk = 0.0023810 k( 256) = ( 0.5000000 0.2564103 0.5000000), wk = 0.0023810 k( 257) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0023810 k( 258) = ( 0.5000000 0.2820513 0.5000000), wk = 0.0023810 k( 259) = ( 0.5000000 0.2948718 0.5000000), wk = 0.0023810 k( 260) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0023810 k( 261) = ( 0.5000000 0.3205128 0.5000000), wk = 0.0023810 k( 262) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023810 k( 263) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0023810 k( 264) = ( 0.5000000 0.3589744 0.5000000), wk = 0.0023810 k( 265) = ( 0.5000000 0.3717949 0.5000000), wk = 0.0023810 k( 266) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0023810 k( 267) = ( 0.5000000 0.3974359 0.5000000), wk = 0.0023810 k( 268) = ( 0.5000000 0.4102564 0.5000000), wk = 0.0023810 k( 269) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0023810 k( 270) = ( 0.5000000 0.4358974 0.5000000), wk = 0.0023810 k( 271) = ( 0.5000000 0.4487179 0.5000000), wk = 0.0023810 k( 272) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0023810 k( 273) = ( 0.5000000 0.4743590 0.5000000), wk = 0.0023810 k( 274) = ( 0.5000000 0.4871795 0.5000000), wk = 0.0023810 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 277) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0023810 k( 278) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0023810 k( 279) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0023810 k( 280) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0023810 k( 281) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0023810 k( 282) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0023810 k( 283) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0023810 k( 284) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0023810 k( 285) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0023810 k( 286) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0023810 k( 287) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0023810 k( 288) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0023810 k( 289) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0023810 k( 290) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0023810 k( 291) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0023810 k( 292) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0023810 k( 293) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0023810 k( 294) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0023810 k( 295) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0023810 k( 296) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0023810 k( 297) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0023810 k( 298) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023810 k( 299) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0023810 k( 300) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0023810 k( 301) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0023810 k( 302) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0023810 k( 303) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0023810 k( 304) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0023810 k( 305) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0023810 k( 306) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0023810 k( 307) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0023810 k( 308) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0023810 k( 309) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0023810 k( 310) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0023810 k( 311) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0023810 k( 312) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0023810 k( 313) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0023810 k( 314) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0023810 k( 315) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0023810 k( 316) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0023810 k( 317) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0023810 k( 318) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0023810 k( 319) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0023810 k( 320) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 321) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 322) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0023810 k( 323) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0023810 k( 324) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0023810 k( 325) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0023810 k( 326) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0023810 k( 327) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0023810 k( 328) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0023810 k( 329) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0023810 k( 330) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0023810 k( 331) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0023810 k( 332) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0023810 k( 333) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0023810 k( 334) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023810 k( 335) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0023810 k( 336) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0023810 k( 337) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0023810 k( 338) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0023810 k( 339) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0023810 k( 340) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0023810 k( 341) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0023810 k( 342) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0023810 k( 343) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0023810 k( 344) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0023810 k( 345) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0023810 k( 346) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0023810 k( 347) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023810 k( 348) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0023810 k( 349) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0023810 k( 350) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0023810 k( 351) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0023810 k( 352) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0023810 k( 353) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0023810 k( 354) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0023810 k( 355) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0023810 k( 356) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0023810 k( 357) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0023810 k( 358) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0023810 k( 359) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0023810 k( 360) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 361) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 362) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0023810 k( 363) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0023810 k( 364) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0023810 k( 365) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0023810 k( 366) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0023810 k( 367) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0023810 k( 368) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0023810 k( 369) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0023810 k( 370) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0023810 k( 371) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0023810 k( 372) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0023810 k( 373) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0023810 k( 374) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0023810 k( 375) = ( 0.0000000 0.5000000 0.3684210), wk = 0.0023810 k( 376) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0023810 k( 377) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0023810 k( 378) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0023810 k( 379) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0023810 k( 380) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 381) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 382) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0023810 k( 383) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0023810 k( 384) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0023810 k( 385) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0023810 k( 386) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0023810 k( 387) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0023810 k( 388) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0023810 k( 389) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0023810 k( 390) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0023810 k( 391) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0023810 k( 392) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0023810 k( 393) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0023810 k( 394) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0023810 k( 395) = ( 0.5000000 0.0000000 0.1315789), wk = 0.0023810 k( 396) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0023810 k( 397) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0023810 k( 398) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0023810 k( 399) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0023810 k( 400) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 401) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 402) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0023810 k( 403) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0023810 k( 404) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0023810 k( 405) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0023810 k( 406) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0023810 k( 407) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0023810 k( 408) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0023810 k( 409) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0023810 k( 410) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0023810 k( 411) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0023810 k( 412) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0023810 k( 413) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0023810 k( 414) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0023810 k( 415) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0023810 k( 416) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0023810 k( 417) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0023810 k( 418) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0023810 k( 419) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0023810 k( 420) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 Dense grid: 84057 G-vectors FFT dimensions: ( 40, 45, 96) Smooth grid: 40761 G-vectors FFT dimensions: ( 32, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 142, 48) NL pseudopotentials 0.13 Mb ( 71, 124) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1173) G-vector shells 0.00 Mb ( 596) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 142, 192) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./IBrO.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.0 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.7 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 13.1 secs Computing kpt #: 17 total cpu time spent up to now is 13.8 secs Computing kpt #: 18 total cpu time spent up to now is 14.5 secs Computing kpt #: 19 total cpu time spent up to now is 15.1 secs Computing kpt #: 20 total cpu time spent up to now is 15.8 secs Computing kpt #: 21 total cpu time spent up to now is 16.4 secs Computing kpt #: 22 total cpu time spent up to now is 17.0 secs Computing kpt #: 23 total cpu time spent up to now is 17.7 secs Computing kpt #: 24 total cpu time spent up to now is 18.3 secs Computing kpt #: 25 total cpu time spent up to now is 19.1 secs Computing kpt #: 26 total cpu time spent up to now is 19.7 secs Computing kpt #: 27 total cpu time spent up to now is 20.3 secs Computing kpt #: 28 total cpu time spent up to now is 21.0 secs Computing kpt #: 29 total cpu time spent up to now is 21.6 secs Computing kpt #: 30 total cpu time spent up to now is 22.3 secs Computing kpt #: 31 total cpu time spent up to now is 22.9 secs Computing kpt #: 32 total cpu time spent up to now is 23.5 secs Computing kpt #: 33 total cpu time spent up to now is 24.1 secs Computing kpt #: 34 total cpu time spent up to now is 24.8 secs Computing kpt #: 35 total cpu time spent up to now is 25.5 secs Computing kpt #: 36 total cpu time spent up to now is 26.1 secs Computing kpt #: 37 total cpu time spent up to now is 26.8 secs Computing kpt #: 38 total cpu time spent up to now is 27.3 secs Computing kpt #: 39 total cpu time spent up to now is 28.0 secs Computing kpt #: 40 total cpu time spent up to now is 28.6 secs Computing kpt #: 41 total cpu time spent up to now is 29.2 secs Computing kpt #: 42 total cpu time spent up to now is 29.8 secs Computing kpt #: 43 total cpu time spent up to now is 30.5 secs Computing kpt #: 44 total cpu time spent up to now is 31.0 secs Computing kpt #: 45 total cpu time spent up to now is 31.9 secs Computing kpt #: 46 total cpu time spent up to now is 32.5 secs Computing kpt #: 47 total cpu time spent up to now is 33.1 secs Computing kpt #: 48 total cpu time spent up to now is 33.7 secs Computing kpt #: 49 total cpu time spent up to now is 34.4 secs Computing kpt #: 50 total cpu time spent up to now is 35.0 secs Computing kpt #: 51 total cpu time spent up to now is 35.6 secs Computing kpt #: 52 total cpu time spent up to now is 36.3 secs Computing kpt #: 53 total cpu time spent up to now is 36.8 secs Computing kpt #: 54 total cpu time spent up to now is 38.3 secs Computing kpt #: 55 total cpu time spent up to now is 39.0 secs Computing kpt #: 56 total cpu time spent up to now is 39.6 secs Computing kpt #: 57 total cpu time spent up to now is 40.2 secs Computing kpt #: 58 total cpu time spent up to now is 40.9 secs Computing kpt #: 59 total cpu time spent up to now is 41.5 secs Computing kpt #: 60 total cpu time spent up to now is 42.1 secs Computing kpt #: 61 total cpu time spent up to now is 42.6 secs Computing kpt #: 62 total cpu time spent up to now is 43.2 secs Computing kpt #: 63 total cpu time spent up to now is 43.8 secs Computing kpt #: 64 total cpu time spent up to now is 44.5 secs Computing kpt #: 65 total cpu time spent up to now is 45.1 secs Computing kpt #: 66 total cpu time spent up to now is 45.8 secs Computing kpt #: 67 total cpu time spent up to now is 46.4 secs Computing kpt #: 68 total cpu time spent up to now is 47.0 secs Computing kpt #: 69 total cpu time spent up to now is 47.6 secs Computing kpt #: 70 total cpu time spent up to now is 48.2 secs Computing kpt #: 71 total cpu time spent up to now is 48.9 secs Computing kpt #: 72 total cpu time spent up to now is 49.5 secs Computing kpt #: 73 total cpu time spent up to now is 50.1 secs Computing kpt #: 74 total cpu time spent up to now is 50.7 secs Computing kpt #: 75 total cpu time spent up to now is 51.3 secs Computing kpt #: 76 total cpu time spent up to now is 52.1 secs Computing kpt #: 77 total cpu time spent up to now is 52.8 secs Computing kpt #: 78 total cpu time spent up to now is 53.5 secs Computing kpt #: 79 total cpu time spent up to now is 54.1 secs Computing kpt #: 80 total cpu time spent up to now is 54.7 secs Computing kpt #: 81 total cpu time spent up to now is 55.4 secs Computing kpt #: 82 total cpu time spent up to now is 56.0 secs Computing kpt #: 83 total cpu time spent up to now is 56.7 secs Computing kpt #: 84 total cpu time spent up to now is 57.4 secs Computing kpt #: 85 total cpu time spent up to now is 58.1 secs Computing kpt #: 86 total cpu time spent up to now is 58.8 secs Computing kpt #: 87 total cpu time spent up to now is 59.4 secs Computing kpt #: 88 total cpu time spent up to now is 60.1 secs Computing kpt #: 89 total cpu time spent up to now is 60.8 secs Computing kpt #: 90 total cpu time spent up to now is 61.5 secs Computing kpt #: 91 total cpu time spent up to now is 62.0 secs Computing kpt #: 92 total cpu time spent up to now is 62.6 secs Computing kpt #: 93 total cpu time spent up to now is 63.2 secs Computing kpt #: 94 total cpu time spent up to now is 63.9 secs Computing kpt #: 95 total cpu time spent up to now is 64.5 secs Computing kpt #: 96 total cpu time spent up to now is 65.2 secs Computing kpt #: 97 total cpu time spent up to now is 65.9 secs Computing kpt #: 98 total cpu time spent up to now is 66.6 secs Computing kpt #: 99 total cpu time spent up to now is 67.2 secs Computing kpt #: 100 total cpu time spent up to now is 67.8 secs Computing kpt #: 101 total cpu time spent up to now is 68.4 secs Computing kpt #: 102 total cpu time spent up to now is 69.1 secs Computing kpt #: 103 total cpu time spent up to now is 69.7 secs Computing kpt #: 104 total cpu time spent up to now is 70.4 secs Computing kpt #: 105 total cpu time spent up to now is 71.1 secs Computing kpt #: 106 total cpu time spent up to now is 71.8 secs Computing kpt #: 107 total cpu time spent up to now is 72.5 secs Computing kpt #: 108 total cpu time spent up to now is 73.1 secs Computing kpt #: 109 total cpu time spent up to now is 73.8 secs Computing kpt #: 110 total cpu time spent up to now is 74.5 secs Computing kpt #: 111 total cpu time spent up to now is 75.3 secs Computing kpt #: 112 total cpu time spent up to now is 76.1 secs Computing kpt #: 113 total cpu time spent up to now is 76.8 secs Computing kpt #: 114 total cpu time spent up to now is 77.4 secs Computing kpt #: 115 total cpu time spent up to now is 78.1 secs Computing kpt #: 116 total cpu time spent up to now is 78.7 secs Computing kpt #: 117 total cpu time spent up to now is 79.3 secs Computing kpt #: 118 total cpu time spent up to now is 79.9 secs Computing kpt #: 119 total cpu time spent up to now is 80.6 secs Computing kpt #: 120 total cpu time spent up to now is 81.3 secs Computing kpt #: 121 total cpu time spent up to now is 81.9 secs Computing kpt #: 122 total cpu time spent up to now is 82.5 secs Computing kpt #: 123 total cpu time spent up to now is 83.3 secs Computing kpt #: 124 total cpu time spent up to now is 83.9 secs Computing kpt #: 125 total cpu time spent up to now is 84.6 secs Computing kpt #: 126 total cpu time spent up to now is 85.3 secs Computing kpt #: 127 total cpu time spent up to now is 85.9 secs Computing kpt #: 128 total cpu time spent up to now is 86.4 secs Computing kpt #: 129 total cpu time spent up to now is 87.1 secs Computing kpt #: 130 total cpu time spent up to now is 87.7 secs Computing kpt #: 131 total cpu time spent up to now is 88.4 secs Computing kpt #: 132 total cpu time spent up to now is 89.0 secs Computing kpt #: 133 total cpu time spent up to now is 89.6 secs Computing kpt #: 134 total cpu time spent up to now is 90.2 secs Computing kpt #: 135 total cpu time spent up to now is 90.8 secs Computing kpt #: 136 total cpu time spent up to now is 91.5 secs Computing kpt #: 137 total cpu time spent up to now is 92.1 secs Computing kpt #: 138 total cpu time spent up to now is 92.8 secs Computing kpt #: 139 total cpu time spent up to now is 93.3 secs Computing kpt #: 140 total cpu time spent up to now is 93.9 secs Computing kpt #: 141 total cpu time spent up to now is 94.6 secs Computing kpt #: 142 total cpu time spent up to now is 95.2 secs Computing kpt #: 143 total cpu time spent up to now is 95.9 secs Computing kpt #: 144 total cpu time spent up to now is 96.4 secs Computing kpt #: 145 total cpu time spent up to now is 97.1 secs Computing kpt #: 146 total cpu time spent up to now is 97.8 secs Computing kpt #: 147 total cpu time spent up to now is 98.4 secs Computing kpt #: 148 total cpu time spent up to now is 99.0 secs Computing kpt #: 149 total cpu time spent up to now is 99.5 secs Computing kpt #: 150 total cpu time spent up to now is 100.1 secs Computing kpt #: 151 total cpu time spent up to now is 100.7 secs Computing kpt #: 152 total cpu time spent up to now is 101.3 secs Computing kpt #: 153 total cpu time spent up to now is 101.8 secs Computing kpt #: 154 total cpu time spent up to now is 102.5 secs Computing kpt #: 155 total cpu time spent up to now is 103.2 secs Computing kpt #: 156 total cpu time spent up to now is 103.8 secs Computing kpt #: 157 total cpu time spent up to now is 104.4 secs Computing kpt #: 158 total cpu time spent up to now is 105.0 secs Computing kpt #: 159 total cpu time spent up to now is 105.6 secs Computing kpt #: 160 total cpu time spent up to now is 106.2 secs Computing kpt #: 161 total cpu time spent up to now is 106.8 secs Computing kpt #: 162 total cpu time spent up to now is 107.8 secs Computing kpt #: 163 total cpu time spent up to now is 108.4 secs Computing kpt #: 164 total cpu time spent up to now is 109.0 secs Computing kpt #: 165 total cpu time spent up to now is 109.7 secs Computing kpt #: 166 total cpu time spent up to now is 110.3 secs Computing kpt #: 167 total cpu time spent up to now is 110.9 secs Computing kpt #: 168 total cpu time spent up to now is 111.5 secs Computing kpt #: 169 total cpu time spent up to now is 112.1 secs Computing kpt #: 170 total cpu time spent up to now is 112.7 secs Computing kpt #: 171 total cpu time spent up to now is 113.3 secs Computing kpt #: 172 total cpu time spent up to now is 113.9 secs Computing kpt #: 173 total cpu time spent up to now is 114.6 secs Computing kpt #: 174 total cpu time spent up to now is 115.2 secs Computing kpt #: 175 total cpu time spent up to now is 115.8 secs Computing kpt #: 176 total cpu time spent up to now is 116.4 secs Computing kpt #: 177 total cpu time spent up to now is 117.1 secs Computing kpt #: 178 total cpu time spent up to now is 117.8 secs Computing kpt #: 179 total cpu time spent up to now is 118.4 secs Computing kpt #: 180 total cpu time spent up to now is 119.0 secs Computing kpt #: 181 total cpu time spent up to now is 119.7 secs Computing kpt #: 182 total cpu time spent up to now is 120.4 secs Computing kpt #: 183 total cpu time spent up to now is 121.0 secs Computing kpt #: 184 total cpu time spent up to now is 121.7 secs Computing kpt #: 185 total cpu time spent up to now is 122.4 secs Computing kpt #: 186 total cpu time spent up to now is 123.0 secs Computing kpt #: 187 total cpu time spent up to now is 123.7 secs Computing kpt #: 188 total cpu time spent up to now is 124.2 secs Computing kpt #: 189 total cpu time spent up to now is 124.9 secs Computing kpt #: 190 total cpu time spent up to now is 125.5 secs Computing kpt #: 191 total cpu time spent up to now is 126.0 secs Computing kpt #: 192 total cpu time spent up to now is 126.6 secs Computing kpt #: 193 total cpu time spent up to now is 127.2 secs Computing kpt #: 194 total cpu time spent up to now is 127.9 secs Computing kpt #: 195 total cpu time spent up to now is 128.6 secs Computing kpt #: 196 total cpu time spent up to now is 129.2 secs Computing kpt #: 197 total cpu time spent up to now is 129.8 secs Computing kpt #: 198 total cpu time spent up to now is 130.4 secs Computing kpt #: 199 total cpu time spent up to now is 131.1 secs Computing kpt #: 200 total cpu time spent up to now is 131.8 secs Computing kpt #: 201 total cpu time spent up to now is 132.5 secs Computing kpt #: 202 total cpu time spent up to now is 133.2 secs Computing kpt #: 203 total cpu time spent up to now is 133.9 secs Computing kpt #: 204 total cpu time spent up to now is 134.5 secs Computing kpt #: 205 total cpu time spent up to now is 135.2 secs Computing kpt #: 206 total cpu time spent up to now is 135.9 secs Computing kpt #: 207 total cpu time spent up to now is 136.6 secs Computing kpt #: 208 total cpu time spent up to now is 137.2 secs Computing kpt #: 209 total cpu time spent up to now is 137.9 secs Computing kpt #: 210 total cpu time spent up to now is 138.6 secs Computing kpt #: 211 total cpu time spent up to now is 139.3 secs Computing kpt #: 212 total cpu time spent up to now is 139.8 secs Computing kpt #: 213 total cpu time spent up to now is 140.7 secs Computing kpt #: 214 total cpu time spent up to now is 141.4 secs Computing kpt #: 215 total cpu time spent up to now is 142.0 secs Computing kpt #: 216 total cpu time spent up to now is 143.0 secs Computing kpt #: 217 total cpu time spent up to now is 143.7 secs Computing kpt #: 218 total cpu time spent up to now is 144.3 secs Computing kpt #: 219 total cpu time spent up to now is 144.9 secs Computing kpt #: 220 total cpu time spent up to now is 145.6 secs Computing kpt #: 221 total cpu time spent up to now is 146.2 secs Computing kpt #: 222 total cpu time spent up to now is 146.9 secs Computing kpt #: 223 total cpu time spent up to now is 147.6 secs Computing kpt #: 224 total cpu time spent up to now is 148.3 secs Computing kpt #: 225 total cpu time spent up to now is 149.0 secs Computing kpt #: 226 total cpu time spent up to now is 149.7 secs Computing kpt #: 227 total cpu time spent up to now is 150.3 secs Computing kpt #: 228 total cpu time spent up to now is 150.9 secs Computing kpt #: 229 total cpu time spent up to now is 151.5 secs Computing kpt #: 230 total cpu time spent up to now is 152.1 secs Computing kpt #: 231 total cpu time spent up to now is 152.7 secs Computing kpt #: 232 total cpu time spent up to now is 153.3 secs Computing kpt #: 233 total cpu time spent up to now is 153.9 secs Computing kpt #: 234 total cpu time spent up to now is 154.6 secs Computing kpt #: 235 total cpu time spent up to now is 155.3 secs Computing kpt #: 236 total cpu time spent up to now is 155.9 secs Computing kpt #: 237 total cpu time spent up to now is 156.4 secs Computing kpt #: 238 total cpu time spent up to now is 157.0 secs Computing kpt #: 239 total cpu time spent up to now is 157.7 secs Computing kpt #: 240 total cpu time spent up to now is 158.3 secs Computing kpt #: 241 total cpu time spent up to now is 159.0 secs Computing kpt #: 242 total cpu time spent up to now is 159.6 secs Computing kpt #: 243 total cpu time spent up to now is 160.4 secs Computing kpt #: 244 total cpu time spent up to now is 161.0 secs Computing kpt #: 245 total cpu time spent up to now is 161.6 secs Computing kpt #: 246 total cpu time spent up to now is 162.5 secs Computing kpt #: 247 total cpu time spent up to now is 163.1 secs Computing kpt #: 248 total cpu time spent up to now is 163.6 secs Computing kpt #: 249 total cpu time spent up to now is 164.3 secs Computing kpt #: 250 total cpu time spent up to now is 164.9 secs Computing kpt #: 251 total cpu time spent up to now is 165.5 secs Computing kpt #: 252 total cpu time spent up to now is 166.0 secs Computing kpt #: 253 total cpu time spent up to now is 166.6 secs Computing kpt #: 254 total cpu time spent up to now is 167.2 secs Computing kpt #: 255 total cpu time spent up to now is 167.9 secs Computing kpt #: 256 total cpu time spent up to now is 168.5 secs Computing kpt #: 257 total cpu time spent up to now is 169.2 secs Computing kpt #: 258 total cpu time spent up to now is 169.8 secs Computing kpt #: 259 total cpu time spent up to now is 170.4 secs Computing kpt #: 260 total cpu time spent up to now is 171.0 secs Computing kpt #: 261 total cpu time spent up to now is 171.7 secs Computing kpt #: 262 total cpu time spent up to now is 172.4 secs Computing kpt #: 263 total cpu time spent up to now is 173.2 secs Computing kpt #: 264 total cpu time spent up to now is 173.9 secs Computing kpt #: 265 total cpu time spent up to now is 174.5 secs Computing kpt #: 266 total cpu time spent up to now is 175.1 secs Computing kpt #: 267 total cpu time spent up to now is 175.7 secs Computing kpt #: 268 total cpu time spent up to now is 176.4 secs Computing kpt #: 269 total cpu time spent up to now is 177.1 secs Computing kpt #: 270 total cpu time spent up to now is 177.7 secs Computing kpt #: 271 total cpu time spent up to now is 178.4 secs Computing kpt #: 272 total cpu time spent up to now is 179.0 secs Computing kpt #: 273 total cpu time spent up to now is 179.6 secs Computing kpt #: 274 total cpu time spent up to now is 180.3 secs Computing kpt #: 275 total cpu time spent up to now is 180.9 secs Computing kpt #: 276 total cpu time spent up to now is 181.6 secs Computing kpt #: 277 total cpu time spent up to now is 182.5 secs Computing kpt #: 278 total cpu time spent up to now is 183.2 secs Computing kpt #: 279 total cpu time spent up to now is 183.8 secs Computing kpt #: 280 total cpu time spent up to now is 184.5 secs Computing kpt #: 281 total cpu time spent up to now is 185.2 secs Computing kpt #: 282 total cpu time spent up to now is 185.9 secs Computing kpt #: 283 total cpu time spent up to now is 186.7 secs Computing kpt #: 284 total cpu time spent up to now is 187.3 secs Computing kpt #: 285 total cpu time spent up to now is 188.0 secs Computing kpt #: 286 total cpu time spent up to now is 188.7 secs Computing kpt #: 287 total cpu time spent up to now is 189.3 secs Computing kpt #: 288 total cpu time spent up to now is 190.0 secs Computing kpt #: 289 total cpu time spent up to now is 190.7 secs Computing kpt #: 290 total cpu time spent up to now is 191.4 secs Computing kpt #: 291 total cpu time spent up to now is 192.1 secs Computing kpt #: 292 total cpu time spent up to now is 192.8 secs Computing kpt #: 293 total cpu time spent up to now is 193.5 secs Computing kpt #: 294 total cpu time spent up to now is 194.3 secs Computing kpt #: 295 total cpu time spent up to now is 195.0 secs Computing kpt #: 296 total cpu time spent up to now is 195.6 secs Computing kpt #: 297 total cpu time spent up to now is 196.3 secs Computing kpt #: 298 total cpu time spent up to now is 197.0 secs Computing kpt #: 299 total cpu time spent up to now is 197.7 secs Computing kpt #: 300 total cpu time spent up to now is 198.4 secs Computing kpt #: 301 total cpu time spent up to now is 199.2 secs Computing kpt #: 302 total cpu time spent up to now is 199.9 secs Computing kpt #: 303 total cpu time spent up to now is 200.5 secs Computing kpt #: 304 total cpu time spent up to now is 201.2 secs Computing kpt #: 305 total cpu time spent up to now is 201.8 secs Computing kpt #: 306 total cpu time spent up to now is 202.4 secs Computing kpt #: 307 total cpu time spent up to now is 203.0 secs Computing kpt #: 308 total cpu time spent up to now is 203.8 secs Computing kpt #: 309 total cpu time spent up to now is 204.5 secs Computing kpt #: 310 total cpu time spent up to now is 205.1 secs Computing kpt #: 311 total cpu time spent up to now is 205.7 secs Computing kpt #: 312 total cpu time spent up to now is 206.3 secs Computing kpt #: 313 total cpu time spent up to now is 207.0 secs Computing kpt #: 314 total cpu time spent up to now is 207.7 secs Computing kpt #: 315 total cpu time spent up to now is 208.3 secs Computing kpt #: 316 total cpu time spent up to now is 208.9 secs Computing kpt #: 317 total cpu time spent up to now is 209.6 secs Computing kpt #: 318 total cpu time spent up to now is 210.1 secs Computing kpt #: 319 total cpu time spent up to now is 210.8 secs Computing kpt #: 320 total cpu time spent up to now is 211.4 secs Computing kpt #: 321 total cpu time spent up to now is 212.1 secs Computing kpt #: 322 total cpu time spent up to now is 212.7 secs Computing kpt #: 323 total cpu time spent up to now is 213.2 secs Computing kpt #: 324 total cpu time spent up to now is 213.9 secs Computing kpt #: 325 total cpu time spent up to now is 214.5 secs Computing kpt #: 326 total cpu time spent up to now is 215.2 secs Computing kpt #: 327 total cpu time spent up to now is 215.8 secs Computing kpt #: 328 total cpu time spent up to now is 216.4 secs Computing kpt #: 329 total cpu time spent up to now is 217.0 secs Computing kpt #: 330 total cpu time spent up to now is 217.6 secs Computing kpt #: 331 total cpu time spent up to now is 218.2 secs Computing kpt #: 332 total cpu time spent up to now is 218.8 secs Computing kpt #: 333 total cpu time spent up to now is 219.4 secs Computing kpt #: 334 total cpu time spent up to now is 220.0 secs Computing kpt #: 335 total cpu time spent up to now is 220.6 secs Computing kpt #: 336 total cpu time spent up to now is 221.2 secs Computing kpt #: 337 total cpu time spent up to now is 221.7 secs Computing kpt #: 338 total cpu time spent up to now is 222.4 secs Computing kpt #: 339 total cpu time spent up to now is 223.1 secs Computing kpt #: 340 total cpu time spent up to now is 223.6 secs Computing kpt #: 341 total cpu time spent up to now is 224.2 secs Computing kpt #: 342 total cpu time spent up to now is 225.0 secs Computing kpt #: 343 total cpu time spent up to now is 225.6 secs Computing kpt #: 344 total cpu time spent up to now is 226.2 secs Computing kpt #: 345 total cpu time spent up to now is 227.0 secs Computing kpt #: 346 total cpu time spent up to now is 227.5 secs Computing kpt #: 347 total cpu time spent up to now is 228.1 secs Computing kpt #: 348 total cpu time spent up to now is 228.7 secs Computing kpt #: 349 total cpu time spent up to now is 229.4 secs Computing kpt #: 350 total cpu time spent up to now is 230.0 secs Computing kpt #: 351 total cpu time spent up to now is 230.6 secs Computing kpt #: 352 total cpu time spent up to now is 231.3 secs Computing kpt #: 353 total cpu time spent up to now is 231.9 secs Computing kpt #: 354 total cpu time spent up to now is 232.5 secs Computing kpt #: 355 total cpu time spent up to now is 233.1 secs Computing kpt #: 356 total cpu time spent up to now is 233.8 secs Computing kpt #: 357 total cpu time spent up to now is 234.4 secs Computing kpt #: 358 total cpu time spent up to now is 235.1 secs Computing kpt #: 359 total cpu time spent up to now is 235.7 secs Computing kpt #: 360 total cpu time spent up to now is 236.3 secs Computing kpt #: 361 total cpu time spent up to now is 237.1 secs Computing kpt #: 362 total cpu time spent up to now is 237.8 secs Computing kpt #: 363 total cpu time spent up to now is 238.5 secs Computing kpt #: 364 total cpu time spent up to now is 239.2 secs Computing kpt #: 365 total cpu time spent up to now is 239.9 secs Computing kpt #: 366 total cpu time spent up to now is 240.5 secs Computing kpt #: 367 total cpu time spent up to now is 241.2 secs Computing kpt #: 368 total cpu time spent up to now is 241.9 secs Computing kpt #: 369 total cpu time spent up to now is 242.6 secs Computing kpt #: 370 total cpu time spent up to now is 243.2 secs Computing kpt #: 371 total cpu time spent up to now is 243.8 secs Computing kpt #: 372 total cpu time spent up to now is 244.4 secs Computing kpt #: 373 total cpu time spent up to now is 245.0 secs Computing kpt #: 374 total cpu time spent up to now is 245.7 secs Computing kpt #: 375 total cpu time spent up to now is 246.3 secs Computing kpt #: 376 total cpu time spent up to now is 246.9 secs Computing kpt #: 377 total cpu time spent up to now is 247.5 secs Computing kpt #: 378 total cpu time spent up to now is 248.1 secs Computing kpt #: 379 total cpu time spent up to now is 249.0 secs Computing kpt #: 380 total cpu time spent up to now is 249.8 secs Computing kpt #: 381 total cpu time spent up to now is 250.6 secs Computing kpt #: 382 total cpu time spent up to now is 251.3 secs Computing kpt #: 383 total cpu time spent up to now is 252.1 secs Computing kpt #: 384 total cpu time spent up to now is 252.8 secs Computing kpt #: 385 total cpu time spent up to now is 253.5 secs Computing kpt #: 386 total cpu time spent up to now is 254.1 secs Computing kpt #: 387 total cpu time spent up to now is 254.7 secs Computing kpt #: 388 total cpu time spent up to now is 255.5 secs Computing kpt #: 389 total cpu time spent up to now is 256.2 secs Computing kpt #: 390 total cpu time spent up to now is 257.0 secs Computing kpt #: 391 total cpu time spent up to now is 257.6 secs Computing kpt #: 392 total cpu time spent up to now is 258.3 secs Computing kpt #: 393 total cpu time spent up to now is 259.0 secs Computing kpt #: 394 total cpu time spent up to now is 259.6 secs Computing kpt #: 395 total cpu time spent up to now is 260.2 secs Computing kpt #: 396 total cpu time spent up to now is 260.9 secs Computing kpt #: 397 total cpu time spent up to now is 261.6 secs Computing kpt #: 398 total cpu time spent up to now is 262.3 secs Computing kpt #: 399 total cpu time spent up to now is 262.9 secs Computing kpt #: 400 total cpu time spent up to now is 263.6 secs Computing kpt #: 401 total cpu time spent up to now is 264.2 secs Computing kpt #: 402 total cpu time spent up to now is 264.8 secs Computing kpt #: 403 total cpu time spent up to now is 265.7 secs Computing kpt #: 404 total cpu time spent up to now is 266.4 secs Computing kpt #: 405 total cpu time spent up to now is 267.1 secs Computing kpt #: 406 total cpu time spent up to now is 267.9 secs Computing kpt #: 407 total cpu time spent up to now is 268.5 secs Computing kpt #: 408 total cpu time spent up to now is 269.2 secs Computing kpt #: 409 total cpu time spent up to now is 269.9 secs Computing kpt #: 410 total cpu time spent up to now is 270.6 secs Computing kpt #: 411 total cpu time spent up to now is 271.2 secs Computing kpt #: 412 total cpu time spent up to now is 271.9 secs Computing kpt #: 413 total cpu time spent up to now is 272.6 secs Computing kpt #: 414 total cpu time spent up to now is 273.1 secs Computing kpt #: 415 total cpu time spent up to now is 273.7 secs Computing kpt #: 416 total cpu time spent up to now is 274.4 secs Computing kpt #: 417 total cpu time spent up to now is 275.1 secs Computing kpt #: 418 total cpu time spent up to now is 275.7 secs Computing kpt #: 419 total cpu time spent up to now is 276.4 secs Computing kpt #: 420 total cpu time spent up to now is 277.1 secs ethr = 2.50E-08, avg # of iterations = 11.8 total cpu time spent up to now is 277.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5131 PWs) bands (ev): -15.7490 -15.7490 -12.6381 -12.6381 -9.6445 -9.6445 -8.9943 -8.9943 -6.3380 -6.3380 -4.0256 -4.0256 -3.0489 -3.0489 -2.0860 -2.0860 0.6770 0.6770 1.1222 1.1222 1.7127 1.7127 2.7068 2.7068 2.8177 2.8177 2.9251 2.9251 3.7692 3.7692 3.9768 3.9768 4.3363 4.3363 4.3478 4.3478 6.4475 6.4475 6.8905 6.8905 7.8105 7.8105 8.1962 8.1962 9.5542 9.5542 9.9931 9.9931 k = 0.0114-0.0000-0.0000 ( 5131 PWs) bands (ev): -15.7480 -15.7480 -12.6387 -12.6387 -9.6436 -9.6436 -8.9935 -8.9935 -6.3397 -6.3397 -4.0284 -4.0284 -3.0479 -3.0479 -2.0863 -2.0863 0.6751 0.6751 1.1171 1.1171 1.7101 1.7101 2.7038 2.7038 2.8293 2.8293 2.9252 2.9252 3.7627 3.7627 3.9761 3.9761 4.3346 4.3346 4.3499 4.3499 6.4566 6.4566 6.8936 6.8936 7.8106 7.8106 8.1936 8.1936 9.5538 9.5538 9.9927 9.9927 k = 0.0227-0.0000-0.0000 ( 5129 PWs) bands (ev): -15.7450 -15.7450 -12.6403 -12.6403 -9.6410 -9.6410 -8.9913 -8.9913 -6.3447 -6.3447 -4.0371 -4.0371 -3.0449 -3.0449 -2.0871 -2.0871 0.6694 0.6694 1.1025 1.1025 1.7022 1.7022 2.6968 2.6968 2.8606 2.8606 2.9265 2.9265 3.7437 3.7437 3.9738 3.9738 4.3317 4.3317 4.3545 4.3545 6.4833 6.4833 6.9027 6.9027 7.8110 7.8110 8.1861 8.1861 9.5525 9.5525 9.9917 9.9917 k = 0.0341-0.0000-0.0000 ( 5125 PWs) bands (ev): -15.7400 -15.7400 -12.6431 -12.6431 -9.6366 -9.6366 -8.9875 -8.9875 -6.3529 -6.3529 -4.0514 -4.0514 -3.0400 -3.0400 -2.0885 -2.0885 0.6598 0.6598 1.0794 1.0794 1.6885 1.6885 2.6877 2.6877 2.9044 2.9044 2.9334 2.9334 3.7142 3.7142 3.9692 3.9692 4.3293 4.3293 4.3599 4.3599 6.5268 6.5268 6.9171 6.9171 7.8114 7.8114 8.1739 8.1739 9.5505 9.5505 9.9902 9.9902 k = 0.0455-0.0000-0.0000 ( 5117 PWs) bands (ev): -15.7330 -15.7330 -12.6471 -12.6471 -9.6306 -9.6306 -8.9822 -8.9822 -6.3644 -6.3644 -4.0715 -4.0715 -3.0330 -3.0330 -2.0902 -2.0902 0.6465 0.6465 1.0496 1.0496 1.6684 1.6684 2.6744 2.6744 2.9345 2.9345 2.9721 2.9721 3.6768 3.6768 3.9622 3.9622 4.3282 4.3282 4.3659 4.3659 6.5853 6.5853 6.9357 6.9357 7.8120 7.8120 8.1575 8.1575 9.5482 9.5482 9.9886 9.9886 k = 0.0568-0.0000-0.0000 ( 5117 PWs) bands (ev): -15.7241 -15.7241 -12.6522 -12.6522 -9.6227 -9.6227 -8.9754 -8.9754 -6.3789 -6.3789 -4.0972 -4.0972 -3.0241 -3.0241 -2.0923 -2.0923 0.6294 0.6294 1.0149 1.0149 1.6416 1.6416 2.6538 2.6538 2.9562 2.9562 3.0382 3.0382 3.6340 3.6340 3.9529 3.9529 4.3288 4.3288 4.3723 4.3723 6.6569 6.6569 6.9573 6.9573 7.8124 7.8124 8.1375 8.1375 9.5457 9.5457 9.9872 9.9872 k = 0.0682-0.0000-0.0000 ( 5123 PWs) bands (ev): -15.7131 -15.7131 -12.6585 -12.6585 -9.6131 -9.6131 -8.9672 -8.9672 -6.3964 -6.3964 -4.1285 -4.1285 -3.0131 -3.0131 -2.0945 -2.0945 0.6087 0.6087 0.9770 0.9770 1.6075 1.6075 2.6234 2.6234 2.9879 2.9879 3.1128 3.1128 3.5889 3.5889 3.9418 3.9418 4.3313 4.3313 4.3793 4.3793 6.7391 6.7391 6.9805 6.9805 7.8125 7.8125 8.1149 8.1149 9.5436 9.5436 9.9867 9.9867 k = 0.0795-0.0000-0.0000 ( 5127 PWs) bands (ev): -15.7002 -15.7002 -12.6660 -12.6660 -9.6018 -9.6018 -8.9575 -8.9575 -6.4167 -6.4167 -4.1653 -4.1653 -3.0002 -3.0002 -2.0967 -2.0967 0.5846 0.5846 0.9372 0.9372 1.5662 1.5662 2.5826 2.5826 3.0306 3.0306 3.1910 3.1910 3.5457 3.5457 3.9298 3.9298 4.3357 4.3357 4.3869 4.3869 6.8287 6.8287 7.0050 7.0050 7.8117 7.8117 8.0906 8.0906 9.5419 9.5419 9.9877 9.9877 k = 0.0909-0.0000-0.0000 ( 5121 PWs) bands (ev): -15.6854 -15.6854 -12.6749 -12.6749 -9.5886 -9.5886 -8.9464 -8.9464 -6.4397 -6.4397 -4.2075 -4.2075 -2.9854 -2.9854 -2.0987 -2.0987 0.5574 0.5574 0.8967 0.8967 1.5176 1.5176 2.5319 2.5319 3.0833 3.0833 3.2650 3.2650 3.5127 3.5127 3.9176 3.9176 4.3420 4.3420 4.3953 4.3953 6.9191 6.9191 7.0340 7.0340 7.8095 7.8095 8.0660 8.0660 9.5407 9.5407 9.9910 9.9910 k = 0.1023-0.0000-0.0000 ( 5119 PWs) bands (ev): -15.6685 -15.6685 -12.6851 -12.6851 -9.5737 -9.5737 -8.9338 -8.9338 -6.4651 -6.4651 -4.2550 -4.2550 -2.9685 -2.9685 -2.1004 -2.1004 0.5275 0.5275 0.8561 0.8561 1.4620 1.4620 2.4724 2.4724 3.1439 3.1439 3.3143 3.3143 3.5109 3.5109 3.9061 3.9061 4.3502 4.3502 4.4045 4.4045 6.9888 6.9888 7.0856 7.0856 7.8049 7.8049 8.0428 8.0428 9.5399 9.5399 9.9975 9.9975 k = 0.1136-0.0000-0.0000 ( 5127 PWs) bands (ev): -15.6498 -15.6498 -12.6967 -12.6967 -9.5569 -9.5569 -8.9199 -8.9199 -6.4927 -6.4927 -4.3077 -4.3077 -2.9497 -2.9497 -2.1015 -2.1015 0.4956 0.4956 0.8158 0.8158 1.3998 1.3998 2.4051 2.4051 3.2076 3.2076 3.3207 3.3207 3.5617 3.5617 3.8957 3.8957 4.3601 4.3601 4.4146 4.4146 7.0194 7.0194 7.1756 7.1756 7.7970 7.7970 8.0229 8.0229 9.5389 9.5389 10.0081 10.0081 k = 0.1250-0.0000-0.0000 ( 5127 PWs) bands (ev): -15.6291 -15.6291 -12.7097 -12.7097 -9.5384 -9.5384 -8.9046 -8.9046 -6.5223 -6.5223 -4.3652 -4.3652 -2.9290 -2.9290 -2.1019 -2.1019 0.4620 0.4620 0.7759 0.7759 1.3314 1.3314 2.3312 2.3312 3.2482 3.2482 3.3285 3.3285 3.6452 3.6452 3.8869 3.8869 4.3717 4.3717 4.4255 4.4255 7.0313 7.0313 7.2813 7.2813 7.7850 7.7850 8.0082 8.0082 9.5372 9.5372 10.0234 10.0234 k = 0.1364-0.0000-0.0000 ( 5127 PWs) bands (ev): -15.6065 -15.6065 -12.7243 -12.7243 -9.5179 -9.5179 -8.8880 -8.8880 -6.5537 -6.5537 -4.4276 -4.4276 -2.9064 -2.9064 -2.1015 -2.1015 0.4273 0.4273 0.7365 0.7365 1.2574 1.2574 2.2518 2.2518 3.2312 3.2312 3.3913 3.3913 3.7404 3.7404 3.8800 3.8800 4.3850 4.3850 4.4375 4.4375 7.0345 7.0345 7.3900 7.3900 7.7687 7.7687 8.0003 8.0003 9.5340 9.5340 10.0442 10.0442 k = 0.1477-0.0000-0.0000 ( 5123 PWs) bands (ev): -15.5821 -15.5821 -12.7404 -12.7404 -9.4957 -9.4957 -8.8702 -8.8702 -6.5866 -6.5866 -4.4945 -4.4945 -2.8818 -2.8818 -2.1002 -2.1002 0.3920 0.3920 0.6974 0.6974 1.1786 1.1786 2.1679 2.1679 3.1984 3.1984 3.4726 3.4726 3.8385 3.8385 3.8764 3.8764 4.4000 4.4000 4.4504 4.4504 7.0317 7.0317 7.4962 7.4962 7.7497 7.7497 8.0005 8.0005 9.5285 9.5285 10.0706 10.0706 k = 0.1591-0.0000-0.0000 ( 5115 PWs) bands (ev): -15.5557 -15.5557 -12.7582 -12.7582 -9.4715 -9.4715 -8.8511 -8.8511 -6.6208 -6.6208 -4.5656 -4.5656 -2.8554 -2.8554 -2.0977 -2.0977 0.3563 0.3563 0.6585 0.6585 1.0956 1.0956 2.0806 2.0806 3.1644 3.1644 3.5588 3.5588 3.8713 3.8713 3.9412 3.9412 4.4167 4.4167 4.4644 4.4644 7.0244 7.0244 7.5928 7.5928 7.7323 7.7323 8.0107 8.0107 9.5202 9.5202 10.1021 10.1021 k = 0.1705-0.0000-0.0000 ( 5111 PWs) bands (ev): -15.5276 -15.5276 -12.7777 -12.7777 -9.4455 -9.4455 -8.8308 -8.8308 -6.6561 -6.6561 -4.6408 -4.6408 -2.8272 -2.8272 -2.0941 -2.0941 0.3202 0.3202 0.6199 0.6199 1.0094 1.0094 1.9909 1.9909 3.1317 3.1317 3.6455 3.6455 3.8730 3.8730 4.0394 4.0394 4.4355 4.4355 4.4794 4.4794 7.0138 7.0138 7.6546 7.6546 7.7376 7.7376 8.0342 8.0342 9.5089 9.5089 10.1380 10.1380 k = 0.1818-0.0000-0.0000 ( 5109 PWs) bands (ev): -15.4976 -15.4976 -12.7989 -12.7989 -9.4176 -9.4176 -8.8094 -8.8094 -6.6921 -6.6921 -4.7198 -4.7198 -2.7971 -2.7971 -2.0892 -2.0892 0.2836 0.2836 0.5813 0.5813 0.9210 0.9210 1.8995 1.8995 3.1012 3.1012 3.7275 3.7275 3.8815 3.8815 4.1348 4.1348 4.4565 4.4565 4.4955 4.4955 7.0010 7.0010 7.6550 7.6550 7.7872 7.7872 8.0761 8.0761 9.4945 9.4945 10.1771 10.1771 k = 0.1932-0.0000-0.0000 ( 5109 PWs) bands (ev): -15.4658 -15.4658 -12.8220 -12.8220 -9.3878 -9.3878 -8.7869 -8.7869 -6.7287 -6.7287 -4.8022 -4.8022 -2.7652 -2.7652 -2.0831 -2.0831 0.2463 0.2463 0.5426 0.5426 0.8316 0.8316 1.8074 1.8074 3.0730 3.0730 3.7912 3.7912 3.9088 3.9088 4.2252 4.2252 4.4803 4.4803 4.5130 4.5130 6.9875 6.9875 7.6386 7.6386 7.8340 7.8340 8.1388 8.1388 9.4773 9.4773 10.2180 10.2180 k = 0.2045-0.0000-0.0000 ( 5089 PWs) bands (ev): -15.4322 -15.4322 -12.8469 -12.8469 -9.3560 -9.3560 -8.7634 -8.7634 -6.7657 -6.7657 -4.8878 -4.8878 -2.7315 -2.7315 -2.0756 -2.0756 0.2077 0.2077 0.5033 0.5033 0.7429 0.7429 1.7152 1.7152 3.0473 3.0473 3.8220 3.8220 3.9681 3.9681 4.3083 4.3083 4.5073 4.5073 4.5329 4.5329 6.9747 6.9747 7.6226 7.6226 7.8662 7.8662 8.2173 8.2173 9.4574 9.4574 10.2590 10.2590 k = 0.2159-0.0000-0.0000 ( 5099 PWs) bands (ev): -15.3969 -15.3969 -12.8737 -12.8737 -9.3224 -9.3224 -8.7389 -8.7389 -6.8027 -6.8027 -4.9763 -4.9763 -2.6961 -2.6961 -2.0667 -2.0667 0.1672 0.1672 0.4616 0.4616 0.6578 0.6578 1.6235 1.6235 3.0239 3.0239 3.8331 3.8331 4.0442 4.0442 4.3809 4.3809 4.5353 4.5353 4.5595 4.5595 6.9640 6.9640 7.6105 7.6105 7.8882 7.8882 8.3035 8.3035 9.4354 9.4354 10.2987 10.2987 k = 0.2273-0.0000-0.0000 ( 5095 PWs) bands (ev): -15.3599 -15.3599 -12.9024 -12.9024 -9.2868 -9.2868 -8.7136 -8.7136 -6.8397 -6.8397 -5.0673 -5.0673 -2.6590 -2.6590 -2.0564 -2.0564 0.1242 0.1242 0.4142 0.4142 0.5808 0.5808 1.5329 1.5329 3.0028 3.0028 3.8378 3.8378 4.1225 4.1225 4.4410 4.4410 4.5591 4.5591 4.5995 4.5995 6.9567 6.9567 7.6041 7.6041 7.9049 7.9049 8.3912 8.3912 9.4118 9.4118 10.3357 10.3357 k = 0.2386-0.0000-0.0000 ( 5091 PWs) bands (ev): -15.3212 -15.3212 -12.9332 -12.9332 -9.2494 -9.2494 -8.6874 -8.6874 -6.8764 -6.8764 -5.1606 -5.1606 -2.6203 -2.6203 -2.0448 -2.0448 0.0778 0.0778 0.3559 0.3559 0.5182 0.5182 1.4439 1.4439 2.9839 2.9839 3.8398 3.8398 4.1971 4.1971 4.4893 4.4893 4.5802 4.5802 4.6497 4.6497 6.9543 6.9543 7.6048 7.6048 7.9189 7.9189 8.4762 8.4762 9.3871 9.3871 10.3688 10.3688 k = 0.2500-0.0000-0.0000 ( 5087 PWs) bands (ev): -15.2809 -15.2809 -12.9658 -12.9658 -9.2100 -9.2100 -8.6606 -8.6606 -6.9127 -6.9127 -5.2558 -5.2558 -2.5800 -2.5800 -2.0317 -2.0317 0.0274 0.0274 0.2855 0.2855 0.4723 0.4723 1.3571 1.3571 2.9672 2.9672 3.8401 3.8401 4.2655 4.2655 4.5299 4.5299 4.6009 4.6009 4.7034 4.7034 6.9581 6.9581 7.6133 7.6133 7.9318 7.9318 8.5558 8.5558 9.3623 9.3623 10.3969 10.3969 k = 0.2614-0.0000-0.0000 ( 5095 PWs) bands (ev): -15.2390 -15.2390 -13.0005 -13.0005 -9.1688 -9.1688 -8.6331 -8.6331 -6.9484 -6.9484 -5.3526 -5.3526 -2.5381 -2.5381 -2.0173 -2.0173 -0.0276 -0.0276 0.2076 0.2076 0.4395 0.4395 1.2727 1.2727 2.9526 2.9526 3.8389 3.8389 4.3262 4.3262 4.5669 4.5669 4.6215 4.6215 4.7557 4.7557 6.9691 6.9691 7.6303 7.6303 7.9447 7.9447 8.6278 8.6278 9.3384 9.3384 10.4192 10.4192 k = 0.2727-0.0000-0.0000 ( 5103 PWs) bands (ev): -15.1956 -15.1956 -13.0372 -13.0372 -9.1257 -9.1257 -8.6050 -8.6050 -6.9833 -6.9833 -5.4508 -5.4508 -2.4947 -2.4947 -2.0015 -2.0015 -0.0877 -0.0877 0.1274 0.1274 0.4153 0.4153 1.1911 1.1911 2.9402 2.9402 3.8360 3.8360 4.3784 4.3784 4.6021 4.6021 4.6421 4.6421 4.8035 4.8035 6.9882 6.9882 7.6561 7.6561 7.9582 7.9582 8.6902 8.6902 9.3166 9.3166 10.4351 10.4351 k = 0.2841-0.0000-0.0000 ( 5095 PWs) bands (ev): -15.1506 -15.1506 -13.0758 -13.0758 -9.0809 -9.0809 -8.5765 -8.5765 -7.0174 -7.0174 -5.5500 -5.5500 -2.4499 -2.4499 -1.9843 -1.9843 -0.1532 -0.1532 0.0484 0.0484 0.3967 0.3967 1.1126 1.1126 2.9300 2.9300 3.8313 3.8313 4.4225 4.4225 4.6362 4.6362 4.6626 4.6626 4.8457 4.8457 7.0159 7.0159 7.6907 7.6907 7.9728 7.9728 8.7408 8.7408 9.2988 9.2988 10.4441 10.4441 k = 0.2955-0.0000-0.0000 ( 5091 PWs) bands (ev): -15.1041 -15.1041 -13.1163 -13.1163 -9.0343 -9.0343 -8.5477 -8.5477 -7.0504 -7.0504 -5.6499 -5.6499 -2.4038 -2.4038 -1.9658 -1.9658 -0.2239 -0.2239 -0.0280 -0.0280 0.3822 0.3822 1.0375 1.0375 2.9220 2.9220 3.8244 3.8244 4.4593 4.4593 4.6687 4.6687 4.6828 4.6828 4.8816 4.8816 7.0524 7.0524 7.7336 7.7336 7.9893 7.9893 8.7776 8.7776 9.2865 9.2865 10.4460 10.4460 k = 0.3068-0.0000-0.0000 ( 5085 PWs) bands (ev): -15.0563 -15.0563 -13.1587 -13.1587 -8.9861 -8.9861 -8.5186 -8.5186 -7.0822 -7.0822 -5.7502 -5.7502 -2.3564 -2.3564 -1.9458 -1.9458 -0.2989 -0.2989 -0.1014 -0.1014 0.3709 0.3709 0.9661 0.9661 2.9163 2.9163 3.8150 3.8150 4.4900 4.4900 4.6985 4.6985 4.7029 4.7029 4.9112 4.9112 7.0974 7.0974 7.7841 7.7841 8.0084 8.0084 8.7995 8.7995 9.2809 9.2809 10.4407 10.4407 k = 0.3182-0.0000-0.0000 ( 5093 PWs) bands (ev): -15.0071 -15.0071 -13.2030 -13.2030 -8.9363 -8.9363 -8.4895 -8.4895 -7.1128 -7.1128 -5.8507 -5.8507 -2.3078 -2.3078 -1.9245 -1.9245 -0.3770 -0.3770 -0.1723 -0.1723 0.3619 0.3619 0.8984 0.8984 2.9131 2.9131 3.8027 3.8027 4.5159 4.5159 4.7200 4.7200 4.7277 4.7277 4.9350 4.9350 7.1502 7.1502 7.8406 7.8406 8.0313 8.0313 8.8064 8.8064 9.2820 9.2820 10.4281 10.4281 k = 0.3295-0.0000-0.0000 ( 5094 PWs) bands (ev): -14.9565 -14.9565 -13.2491 -13.2491 -8.8851 -8.8851 -8.4604 -8.4604 -7.1419 -7.1419 -5.9511 -5.9511 -2.2582 -2.2582 -1.9017 -1.9017 -0.4568 -0.4568 -0.2414 -0.2414 0.3549 0.3549 0.8347 0.8347 2.9123 2.9123 3.7873 3.7873 4.5380 4.5380 4.7370 4.7370 4.7532 4.7532 4.9534 4.9534 7.2098 7.2098 7.9009 7.9009 8.0598 8.0598 8.8001 8.8001 9.2881 9.2881 10.4083 10.4083 k = 0.3409-0.0000-0.0000 ( 5096 PWs) bands (ev): -14.9048 -14.9048 -13.2969 -13.2969 -8.8327 -8.8327 -8.4316 -8.4316 -7.1696 -7.1696 -6.0510 -6.0510 -2.2077 -2.2077 -1.8773 -1.8773 -0.5370 -0.5370 -0.3093 -0.3093 0.3493 0.3493 0.7752 0.7752 2.9142 2.9142 3.7685 3.7685 4.5571 4.5571 4.7519 4.7519 4.7770 4.7770 4.9671 4.9671 7.2746 7.2746 7.9608 7.9608 8.0975 8.0975 8.7836 8.7836 9.2966 9.2966 10.3814 10.3814 k = 0.3523-0.0000-0.0000 ( 5104 PWs) bands (ev): -14.8518 -14.8518 -13.3463 -13.3463 -8.7792 -8.7792 -8.4031 -8.4031 -7.1954 -7.1954 -6.1502 -6.1502 -2.1564 -2.1564 -1.8513 -1.8513 -0.6167 -0.6167 -0.3766 -0.3766 0.3450 0.3450 0.7198 0.7198 2.9188 2.9188 3.7462 3.7462 4.5737 4.5737 4.7646 4.7646 4.7992 4.7992 4.9769 4.9769 7.3432 7.3432 8.0156 8.0156 8.1483 8.1483 8.7601 8.7601 9.3049 9.3049 10.3478 10.3478 k = 0.3636-0.0000-0.0000 ( 5100 PWs) bands (ev): -14.7978 -14.7978 -13.3973 -13.3973 -8.7249 -8.7249 -8.3752 -8.3752 -7.2194 -7.2194 -6.2484 -6.2484 -2.1047 -2.1047 -1.8235 -1.8235 -0.6951 -0.6951 -0.4436 -0.4436 0.3416 0.3416 0.6686 0.6686 2.9263 2.9263 3.7204 3.7204 4.5885 4.5885 4.7749 4.7749 4.8202 4.8202 4.9836 4.9836 7.4137 7.4137 8.0632 8.0632 8.2131 8.2131 8.7329 8.7329 9.3108 9.3108 10.3077 10.3077 k = 0.3750-0.0000-0.0000 ( 5092 PWs) bands (ev): -14.7426 -14.7426 -13.4497 -13.4497 -8.6700 -8.6700 -8.3481 -8.3481 -7.2412 -7.2412 -6.3452 -6.3452 -2.0526 -2.0526 -1.7938 -1.7938 -0.7718 -0.7718 -0.5105 -0.5105 0.3389 0.3389 0.6217 0.6217 2.9366 2.9366 3.6911 3.6911 4.6019 4.6019 4.7829 4.7829 4.8401 4.8401 4.9878 4.9878 7.4846 7.4846 8.1061 8.1061 8.2875 8.2875 8.7055 8.7055 9.3130 9.3130 10.2613 10.2613 k = 0.3864-0.0000-0.0000 ( 5080 PWs) bands (ev): -14.6865 -14.6865 -13.5035 -13.5035 -8.6151 -8.6151 -8.3220 -8.3220 -7.2605 -7.2605 -6.4403 -6.4403 -2.0005 -2.0005 -1.7619 -1.7619 -0.8463 -0.8463 -0.5773 -0.5773 0.3368 0.3368 0.5790 0.5790 2.9500 2.9500 3.6585 3.6585 4.6143 4.6143 4.7885 4.7885 4.8589 4.8589 4.9903 4.9903 7.5540 7.5540 8.1471 8.1471 8.3647 8.3647 8.6825 8.6825 9.3103 9.3103 10.2091 10.2091 k = 0.3977-0.0000-0.0000 ( 5078 PWs) bands (ev): -14.6295 -14.6295 -13.5585 -13.5585 -8.5606 -8.5606 -8.2973 -8.2973 -7.2769 -7.2769 -6.5332 -6.5332 -1.9488 -1.9488 -1.7277 -1.7277 -0.9183 -0.9183 -0.6440 -0.6440 0.3353 0.3353 0.5404 0.5404 2.9665 2.9665 3.6230 3.6230 4.6262 4.6262 4.7918 4.7918 4.8767 4.8767 4.9917 4.9917 7.6208 7.6208 8.1866 8.1866 8.4362 8.4362 8.6725 8.6725 9.3023 9.3023 10.1513 10.1513 k = 0.4091-0.0000-0.0000 ( 5090 PWs) bands (ev): -14.5717 -14.5717 -13.6147 -13.6147 -8.5070 -8.5070 -8.2742 -8.2742 -7.2900 -7.2900 -6.6237 -6.6237 -1.8976 -1.8976 -1.6910 -1.6910 -0.9873 -0.9873 -0.7106 -0.7106 0.3342 0.3342 0.5060 0.5060 2.9860 2.9860 3.5848 3.5848 4.6378 4.6378 4.7926 4.7926 4.8934 4.8934 4.9923 4.9923 7.6840 7.6840 8.2218 8.2218 8.4898 8.4898 8.6899 8.6899 9.2891 9.2891 10.0885 10.0885 k = 0.4205-0.0000-0.0000 ( 5096 PWs) bands (ev): -14.5132 -14.5132 -13.6719 -13.6719 -8.4550 -8.4550 -8.2531 -8.2531 -7.2992 -7.2992 -6.7113 -6.7113 -1.8474 -1.8474 -1.6518 -1.6518 -1.0530 -1.0530 -0.7770 -0.7770 0.3337 0.3337 0.4754 0.4754 3.0085 3.0085 3.5445 3.5445 4.6493 4.6493 4.7911 4.7911 4.9089 4.9089 4.9926 4.9926 7.7432 7.7432 8.2470 8.2470 8.5228 8.5228 8.7420 8.7420 9.2713 9.2713 10.0209 10.0209 k = 0.4318-0.0000-0.0000 ( 5094 PWs) bands (ev): -14.4540 -14.4540 -13.7299 -13.7299 -8.4054 -8.4054 -8.2346 -8.2346 -7.3036 -7.3036 -6.7953 -6.7953 -1.7982 -1.7982 -1.6107 -1.6107 -1.1147 -1.1147 -0.8429 -0.8429 0.3337 0.3337 0.4487 0.4487 3.0341 3.0341 3.5024 3.5024 4.6609 4.6609 4.7873 4.7873 4.9231 4.9231 4.9924 4.9924 7.7984 7.7984 8.2557 8.2557 8.5533 8.5533 8.8142 8.8142 9.2504 9.2504 9.9490 9.9490 k = 0.4432-0.0000-0.0000 ( 5088 PWs) bands (ev): -14.3942 -14.3942 -13.7888 -13.7888 -8.3592 -8.3592 -8.2191 -8.2191 -7.3026 -7.3026 -6.8752 -6.8752 -1.7502 -1.7502 -1.5686 -1.5686 -1.1714 -1.1714 -0.9083 -0.9083 0.3344 0.3344 0.4255 0.4255 3.0626 3.0626 3.4592 3.4592 4.6726 4.6726 4.7816 4.7816 4.9359 4.9359 4.9920 4.9920 7.8502 7.8502 8.2465 8.2465 8.5945 8.5945 8.8895 8.8895 9.2304 9.2304 9.8731 9.8731 k = 0.4545-0.0000-0.0000 ( 5084 PWs) bands (ev): -14.3340 -14.3340 -13.8483 -13.8483 -8.3174 -8.3174 -8.2072 -8.2072 -7.2952 -7.2952 -6.9503 -6.9503 -1.7032 -1.7032 -1.5283 -1.5283 -1.2205 -1.2205 -0.9727 -0.9727 0.3360 0.3360 0.4057 0.4057 3.0938 3.0938 3.4154 3.4154 4.6846 4.6846 4.7742 4.7742 4.9474 4.9474 4.9911 4.9911 7.8990 7.8990 8.2236 8.2236 8.6466 8.6466 8.9524 8.9524 9.2210 9.2210 9.7938 9.7938 k = 0.4659-0.0000-0.0000 ( 5084 PWs) bands (ev): -14.2734 -14.2734 -13.9084 -13.9084 -8.2809 -8.2809 -8.1997 -8.1997 -7.2806 -7.2806 -7.0199 -7.0199 -1.6573 -1.6573 -1.4960 -1.4960 -1.2562 -1.2562 -1.0359 -1.0359 0.3386 0.3386 0.3889 0.3889 3.1277 3.1277 3.3713 3.3713 4.6966 4.6966 4.7653 4.7653 4.9575 4.9575 4.9895 4.9895 7.9456 7.9456 8.1923 8.1923 8.7053 8.7053 8.9824 8.9824 9.2402 9.2402 9.7115 9.7115 k = 0.4773-0.0000-0.0000 ( 5080 PWs) bands (ev): -14.2126 -14.2126 -13.9689 -13.9689 -8.2505 -8.2505 -8.1972 -8.1972 -7.2580 -7.2580 -7.0831 -7.0831 -1.6123 -1.6123 -1.4833 -1.4833 -1.2676 -1.2676 -1.0970 -1.0970 0.3424 0.3424 0.3751 0.3751 3.1640 3.1640 3.3276 3.3276 4.7088 4.7088 4.7552 4.7552 4.9661 4.9661 4.9872 4.9872 7.9904 7.9904 8.1561 8.1561 8.7666 8.7666 8.9716 8.9716 9.2950 9.2950 9.6269 9.6269 k = 0.4886-0.0000-0.0000 ( 5080 PWs) bands (ev): -14.1516 -14.1516 -14.0296 -14.0296 -8.2269 -8.2269 -8.2005 -8.2005 -7.2269 -7.2269 -7.1391 -7.1391 -1.5689 -1.5689 -1.4969 -1.4969 -1.2483 -1.2483 -1.1549 -1.1549 0.3477 0.3477 0.3637 0.3637 3.2024 3.2024 3.2846 3.2846 4.7209 4.7209 4.7443 4.7443 4.9733 4.9733 4.9838 4.9838 8.0338 8.0338 8.1170 8.1170 8.8273 8.8273 8.9347 8.9347 9.3707 9.3707 9.5408 9.5408 k = 0.5000-0.0000-0.0000 ( 5076 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2103 -8.2103 -8.2103 -8.2103 -7.1872 -7.1872 -7.1872 -7.1872 -1.5288 -1.5288 -1.5288 -1.5288 -1.2072 -1.2072 -1.2072 -1.2072 0.3547 0.3547 0.3547 0.3547 3.2428 3.2428 3.2428 3.2428 4.7328 4.7328 4.7328 4.7328 4.9792 4.9792 4.9792 4.9792 8.0761 8.0761 8.0761 8.0761 8.8845 8.8845 8.8845 8.8845 9.4546 9.4546 9.4546 9.4546 k = 0.5000-0.0000-0.0000 ( 5076 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2103 -8.2103 -8.2103 -8.2103 -7.1872 -7.1872 -7.1872 -7.1872 -1.5288 -1.5288 -1.5288 -1.5288 -1.2072 -1.2072 -1.2072 -1.2072 0.3547 0.3547 0.3547 0.3547 3.2428 3.2428 3.2428 3.2428 4.7328 4.7328 4.7328 4.7328 4.9792 4.9792 4.9792 4.9792 8.0761 8.0761 8.0761 8.0761 8.8845 8.8845 8.8845 8.8845 9.4546 9.4546 9.4546 9.4546 k = 0.5000 0.0114-0.0000 ( 5078 PWs) bands (ev): -14.0903 -14.0903 -14.0897 -14.0897 -8.2102 -8.2102 -8.2102 -8.2102 -7.1900 -7.1900 -7.1899 -7.1899 -1.5790 -1.5790 -1.4904 -1.4904 -1.2376 -1.2376 -1.1549 -1.1549 0.3504 0.3504 0.3572 0.3572 3.2421 3.2421 3.2438 3.2438 4.7225 4.7225 4.7384 4.7384 4.9719 4.9719 4.9863 4.9863 8.0472 8.0472 8.0984 8.0984 8.8593 8.8593 8.9094 8.9094 9.4567 9.4567 9.4580 9.4580 k = 0.5000 0.0229-0.0000 ( 5076 PWs) bands (ev): -14.0889 -14.0889 -14.0877 -14.0877 -8.2098 -8.2098 -8.2098 -8.2098 -7.1984 -7.1984 -7.1983 -7.1983 -1.6313 -1.6313 -1.4788 -1.4788 -1.2308 -1.2308 -1.0903 -1.0903 0.3444 0.3444 0.3578 0.3578 3.2418 3.2418 3.2452 3.2452 4.7077 4.7077 4.7388 4.7388 4.9649 4.9649 4.9929 4.9929 8.0127 8.0127 8.1129 8.1129 8.8356 8.8356 8.9327 8.9327 9.4647 9.4647 9.4663 9.4663 k = 0.5000 0.0343-0.0000 ( 5084 PWs) bands (ev): -14.0863 -14.0863 -14.0845 -14.0845 -8.2092 -8.2092 -8.2091 -8.2091 -7.2123 -7.2123 -7.2121 -7.2121 -1.6816 -1.6816 -1.4959 -1.4959 -1.1854 -1.1854 -1.0176 -1.0176 0.3365 0.3365 0.3567 0.3567 3.2418 3.2418 3.2469 3.2469 4.6890 4.6890 4.7336 4.7336 4.9585 4.9585 4.9986 4.9986 7.9735 7.9735 8.1185 8.1185 8.8153 8.8153 8.9534 8.9534 9.4786 9.4786 9.4789 9.4789 k = 0.5000 0.0457-0.0000 ( 5088 PWs) bands (ev): -14.0826 -14.0826 -14.0803 -14.0803 -8.2083 -8.2083 -8.2082 -8.2082 -7.2314 -7.2314 -7.2312 -7.2312 -1.7285 -1.7285 -1.5268 -1.5268 -1.1164 -1.1164 -0.9384 -0.9384 0.3269 0.3269 0.3537 0.3537 3.2422 3.2422 3.2490 3.2490 4.6668 4.6668 4.7230 4.7230 4.9530 4.9530 5.0031 5.0031 7.9302 7.9302 8.1141 8.1141 8.8001 8.8001 8.9710 8.9710 9.4950 9.4950 9.4984 9.4984 k = 0.5000 0.0572-0.0000 ( 5100 PWs) bands (ev): -14.0778 -14.0778 -14.0749 -14.0749 -8.2072 -8.2072 -8.2071 -8.2071 -7.2557 -7.2557 -7.2555 -7.2555 -1.7710 -1.7710 -1.5609 -1.5609 -1.0343 -1.0343 -0.8540 -0.8540 0.3156 0.3156 0.3491 0.3491 3.2429 3.2429 3.2514 3.2514 4.6413 4.6413 4.7071 4.7071 4.9483 4.9483 5.0063 5.0063 7.8834 7.8834 8.0992 8.0992 8.7911 8.7911 8.9857 8.9857 9.5142 9.5142 9.5232 9.5232 k = 0.5000 0.0686-0.0000 ( 5096 PWs) bands (ev): -14.0719 -14.0719 -14.0684 -14.0684 -8.2059 -8.2059 -8.2057 -8.2057 -7.2848 -7.2848 -7.2848 -7.2848 -1.8089 -1.8089 -1.5940 -1.5940 -0.9441 -0.9441 -0.7649 -0.7649 0.3025 0.3025 0.3428 0.3428 3.2438 3.2438 3.2541 3.2541 4.6129 4.6129 4.6864 4.6864 4.9442 4.9442 5.0082 5.0082 7.8335 7.8335 8.0739 8.0739 8.7889 8.7889 8.9978 8.9978 9.5357 9.5357 9.5522 9.5522 k = 0.5000 0.0800-0.0000 ( 5096 PWs) bands (ev): -14.0649 -14.0649 -14.0609 -14.0609 -8.2043 -8.2043 -8.2041 -8.2041 -7.3186 -7.3186 -7.3184 -7.3184 -1.8420 -1.8420 -1.6243 -1.6243 -0.8478 -0.8478 -0.6718 -0.6718 0.2879 0.2879 0.3349 0.3349 3.2450 3.2450 3.2571 3.2571 4.5818 4.5818 4.6614 4.6614 4.9404 4.9404 5.0088 5.0088 7.7808 7.7808 8.0389 8.0389 8.7931 8.7931 9.0081 9.0081 9.5592 9.5592 9.5845 9.5845 k = 0.5000 0.0915-0.0000 ( 5096 PWs) bands (ev): -14.0568 -14.0568 -14.0523 -14.0523 -8.2026 -8.2026 -8.2024 -8.2024 -7.3567 -7.3567 -7.3563 -7.3563 -1.8703 -1.8703 -1.6509 -1.6509 -0.7468 -0.7468 -0.5751 -0.5751 0.2718 0.2718 0.3256 0.3256 3.2463 3.2463 3.2603 3.2603 4.5484 4.5484 4.6327 4.6327 4.9366 4.9366 5.0080 5.0080 7.7257 7.7257 7.9954 7.9954 8.8031 8.8031 9.0171 9.0171 9.5841 9.5841 9.6191 9.6191 k = 0.5000 0.1029-0.0000 ( 5100 PWs) bands (ev): -14.0478 -14.0478 -14.0428 -14.0428 -8.2007 -8.2007 -8.2004 -8.2004 -7.3988 -7.3988 -7.3980 -7.3980 -1.8939 -1.8939 -1.6736 -1.6736 -0.6420 -0.6420 -0.4755 -0.4755 0.2544 0.2544 0.3152 0.3152 3.2479 3.2479 3.2638 3.2638 4.5128 4.5128 4.6010 4.6010 4.9328 4.9328 5.0061 5.0061 7.6684 7.6684 7.9448 7.9448 8.8179 8.8179 9.0255 9.0255 9.6100 9.6100 9.6551 9.6551 k = 0.5000 0.1143-0.0000 ( 5096 PWs) bands (ev): -14.0378 -14.0378 -14.0323 -14.0323 -8.1987 -8.1987 -8.1984 -8.1984 -7.4444 -7.4444 -7.4432 -7.4432 -1.9128 -1.9128 -1.6922 -1.6922 -0.5342 -0.5342 -0.3739 -0.3739 0.2361 0.2361 0.3042 0.3042 3.2495 3.2495 3.2673 3.2673 4.4754 4.4754 4.5666 4.5666 4.9287 4.9287 5.0031 5.0031 7.6092 7.6092 7.8883 7.8883 8.8368 8.8368 9.0339 9.0339 9.6366 9.6366 9.6917 9.6917 k = 0.5000 0.1258-0.0000 ( 5080 PWs) bands (ev): -14.0268 -14.0268 -14.0209 -14.0209 -8.1965 -8.1965 -8.1962 -8.1962 -7.4930 -7.4930 -7.4914 -7.4914 -1.9272 -1.9272 -1.7067 -1.7067 -0.4247 -0.4247 -0.2715 -0.2715 0.2177 0.2177 0.2935 0.2935 3.2511 3.2511 3.2710 3.2710 4.4364 4.4364 4.5301 4.5301 4.9242 4.9242 4.9990 4.9990 7.5482 7.5482 7.8271 7.8271 8.8588 8.8588 9.0426 9.0426 9.6635 9.6635 9.7284 9.7284 k = 0.5000 0.1372-0.0000 ( 5084 PWs) bands (ev): -14.0150 -14.0150 -14.0086 -14.0086 -8.1944 -8.1944 -8.1940 -8.1940 -7.5444 -7.5444 -7.5423 -7.5423 -1.9373 -1.9373 -1.7173 -1.7173 -0.3153 -0.3153 -0.1707 -0.1707 0.2006 0.2006 0.2851 0.2851 3.2527 3.2527 3.2747 3.2747 4.3961 4.3961 4.4918 4.4918 4.9194 4.9194 4.9942 4.9942 7.4857 7.4857 7.7620 7.7620 8.8835 8.8835 9.0520 9.0520 9.6905 9.6905 9.7646 9.7646 k = 0.5000 0.1486-0.0000 ( 5088 PWs) bands (ev): -14.0024 -14.0024 -13.9956 -13.9956 -8.1922 -8.1922 -8.1918 -8.1918 -7.5980 -7.5980 -7.5954 -7.5954 -1.9431 -1.9431 -1.7239 -1.7239 -0.2099 -0.2099 -0.0762 -0.0762 0.1883 0.1883 0.2834 0.2834 3.2542 3.2542 3.2783 3.2783 4.3548 4.3548 4.4522 4.4522 4.9143 4.9143 4.9886 4.9886 7.4218 7.4218 7.6939 7.6939 8.9103 8.9103 9.0624 9.0624 9.7172 9.7172 9.8000 9.8000 k = 0.5000 0.1601-0.0000 ( 5092 PWs) bands (ev): -13.9890 -13.9890 -13.9819 -13.9819 -8.1902 -8.1902 -8.1897 -8.1897 -7.6533 -7.6533 -7.6502 -7.6502 -1.9450 -1.9450 -1.7267 -1.7267 -0.1173 -0.1173 0.0020 0.0020 0.1892 0.1892 0.2981 0.2981 3.2555 3.2555 3.2818 3.2818 4.3127 4.3127 4.4116 4.4116 4.9090 4.9090 4.9825 4.9825 7.3568 7.3568 7.6234 7.6234 8.9389 8.9389 9.0740 9.0740 9.7435 9.7435 9.8342 9.8342 k = 0.5000 0.1715-0.0000 ( 5088 PWs) bands (ev): -13.9749 -13.9749 -13.9675 -13.9675 -8.1883 -8.1883 -8.1878 -8.1878 -7.7098 -7.7098 -7.7062 -7.7062 -1.9430 -1.9430 -1.7259 -1.7259 -0.0553 -0.0553 0.0496 0.0496 0.2208 0.2208 0.3432 0.3432 3.2566 3.2566 3.2851 3.2851 4.2701 4.2701 4.3703 4.3703 4.9035 4.9035 4.9760 4.9760 7.2907 7.2907 7.5509 7.5509 8.9692 8.9692 9.0870 9.0870 9.7692 9.7692 9.8670 9.8670 k = 0.5000 0.1829-0.0000 ( 5092 PWs) bands (ev): -13.9603 -13.9603 -13.9525 -13.9525 -8.1869 -8.1869 -8.1863 -8.1863 -7.7670 -7.7670 -7.7629 -7.7629 -1.9372 -1.9372 -1.7216 -1.7216 -0.0355 -0.0355 0.0636 0.0636 0.2944 0.2944 0.4214 0.4214 3.2572 3.2572 3.2881 3.2881 4.2273 4.2273 4.3287 4.3287 4.8979 4.8979 4.9691 4.9691 7.2239 7.2239 7.4769 7.4769 9.0008 9.0008 9.1014 9.1014 9.7940 9.7940 9.8983 9.8983 k = 0.5000 0.1944-0.0000 ( 5080 PWs) bands (ev): -13.9450 -13.9450 -13.9371 -13.9371 -8.1861 -8.1861 -8.1854 -8.1854 -7.8242 -7.8242 -7.8197 -7.8197 -1.9280 -1.9280 -1.7138 -1.7138 -0.0448 -0.0448 0.0558 0.0558 0.3965 0.3965 0.5206 0.5206 3.2575 3.2575 3.2907 3.2907 4.1845 4.1845 4.2869 4.2869 4.8923 4.8923 4.9621 4.9621 7.1565 7.1565 7.4018 7.4018 9.0337 9.0337 9.1173 9.1173 9.8180 9.8180 9.9278 9.9278 k = 0.5000 0.2058-0.0000 ( 5076 PWs) bands (ev): -13.9293 -13.9293 -13.9212 -13.9212 -8.1864 -8.1864 -8.1855 -8.1855 -7.8806 -7.8806 -7.8758 -7.8758 -1.9155 -1.9155 -1.7029 -1.7029 -0.0682 -0.0682 0.0365 0.0365 0.5119 0.5119 0.6302 0.6302 3.2571 3.2571 3.2927 3.2927 4.1420 4.1420 4.2453 4.2453 4.8868 4.8868 4.9550 4.9550 7.0887 7.0887 7.3258 7.3258 9.0678 9.0678 9.1347 9.1347 9.8408 9.8408 9.9556 9.9556 k = 0.5000 0.2172-0.0000 ( 5072 PWs) bands (ev): -13.9133 -13.9133 -13.9050 -13.9050 -8.1885 -8.1885 -8.1873 -8.1873 -7.9351 -7.9351 -7.9301 -7.9301 -1.8998 -1.8998 -1.6889 -1.6889 -0.0989 -0.0989 0.0106 0.0106 0.6334 0.6334 0.7450 0.7450 3.2561 3.2561 3.2941 3.2941 4.0999 4.0999 4.2040 4.2040 4.8815 4.8815 4.9479 4.9479 7.0207 7.0207 7.2494 7.2494 9.1028 9.1028 9.1537 9.1537 9.8626 9.8626 9.9815 9.9815 k = 0.5000 0.2287-0.0000 ( 5072 PWs) bands (ev): -13.8970 -13.8970 -13.8886 -13.8886 -8.1940 -8.1940 -8.1922 -8.1922 -7.9859 -7.9859 -7.9810 -7.9810 -1.8811 -1.8811 -1.6719 -1.6719 -0.1339 -0.1339 -0.0197 -0.0197 0.7578 0.7578 0.8624 0.8624 3.2544 3.2544 3.2948 3.2948 4.0586 4.0586 4.1633 4.1633 4.8764 4.8764 4.9409 4.9409 6.9528 6.9528 7.1727 7.1727 9.1388 9.1388 9.1742 9.1742 9.8832 9.8832 10.0056 10.0056 k = 0.5000 0.2401-0.0000 ( 5072 PWs) bands (ev): -13.8805 -13.8805 -13.8721 -13.8721 -8.2051 -8.2051 -8.2025 -8.2025 -8.0302 -8.0302 -8.0259 -8.0259 -1.8595 -1.8595 -1.6522 -1.6522 -0.1719 -0.1719 -0.0532 -0.0532 0.8835 0.8835 0.9811 0.9811 3.2517 3.2517 3.2945 3.2945 4.0182 4.0182 4.1234 4.1234 4.8716 4.8716 4.9342 4.9342 6.8853 6.8853 7.0961 7.0961 9.1755 9.1755 9.1962 9.1962 9.9026 9.9026 10.0278 10.0278 k = 0.5000 0.2515-0.0000 ( 5080 PWs) bands (ev): -13.8639 -13.8639 -13.8555 -13.8555 -8.2253 -8.2253 -8.2214 -8.2214 -8.0645 -8.0645 -8.0612 -8.0612 -1.8353 -1.8353 -1.6299 -1.6299 -0.2124 -0.2124 -0.0892 -0.0892 1.0096 1.0096 1.1001 1.1001 3.2481 3.2481 3.2931 3.2931 3.9790 3.9790 4.0843 4.0843 4.8672 4.8672 4.9277 4.9277 6.8183 6.8183 7.0199 7.0199 9.2129 9.2129 9.2196 9.2196 9.9208 9.9208 10.0481 10.0481 k = 0.5000 0.2630-0.0000 ( 5084 PWs) bands (ev): -13.8474 -13.8474 -13.8391 -13.8391 -8.2560 -8.2560 -8.2509 -8.2509 -8.0869 -8.0869 -8.0847 -8.0847 -1.8086 -1.8086 -1.6052 -1.6052 -0.2547 -0.2547 -0.1274 -0.1274 1.1353 1.1353 1.2188 1.2188 3.2434 3.2434 3.2905 3.2905 3.9411 3.9411 4.0463 4.0463 4.8633 4.8633 4.9215 4.9215 6.7522 6.7522 6.9443 6.9443 9.2444 9.2444 9.2507 9.2507 9.9378 9.9378 10.0666 10.0666 k = 0.5000 0.2744-0.0000 ( 5080 PWs) bands (ev): -13.8310 -13.8310 -13.8228 -13.8228 -8.2950 -8.2950 -8.2889 -8.2889 -8.0994 -8.0994 -8.0980 -8.0980 -1.7794 -1.7794 -1.5781 -1.5781 -0.2986 -0.2986 -0.1675 -0.1675 1.2601 1.2601 1.3366 1.3366 3.2376 3.2376 3.2866 3.2866 3.9047 3.9047 4.0094 4.0094 4.8598 4.8598 4.9156 4.9156 6.6873 6.6873 6.8697 6.8697 9.2703 9.2703 9.2888 9.2888 9.9536 9.9536 10.0832 10.0832 k = 0.5000 0.2858-0.0000 ( 5084 PWs) bands (ev): -13.8149 -13.8149 -13.8069 -13.8069 -8.3382 -8.3382 -8.3316 -8.3316 -8.1057 -8.1057 -8.1048 -8.1048 -1.7481 -1.7481 -1.5490 -1.5490 -0.3439 -0.3439 -0.2092 -0.2092 1.3834 1.3834 1.4531 1.4531 3.2304 3.2304 3.2810 3.2810 3.8701 3.8701 3.9737 3.9737 4.8568 4.8568 4.9101 4.9101 6.6240 6.6240 6.7964 6.7964 9.2972 9.2972 9.3268 9.3268 9.9684 9.9684 10.0980 10.0980 k = 0.5000 0.2973-0.0000 ( 5080 PWs) bands (ev): -13.7992 -13.7992 -13.7914 -13.7914 -8.3827 -8.3827 -8.3759 -8.3759 -8.1085 -8.1085 -8.1079 -8.1079 -1.7146 -1.7146 -1.5179 -1.5179 -0.3902 -0.3902 -0.2524 -0.2524 1.5047 1.5047 1.5677 1.5677 3.2218 3.2218 3.2736 3.2736 3.8372 3.8372 3.9393 3.9393 4.8544 4.8544 4.9050 4.9050 6.5626 6.5626 6.7248 6.7248 9.3249 9.3249 9.3645 9.3645 9.9821 9.9821 10.1110 10.1110 k = 0.5000 0.3087-0.0000 ( 5090 PWs) bands (ev): -13.7840 -13.7840 -13.7765 -13.7765 -8.4267 -8.4267 -8.4199 -8.4199 -8.1094 -8.1094 -8.1090 -8.1090 -1.6792 -1.6792 -1.4851 -1.4851 -0.4374 -0.4374 -0.2968 -0.2968 1.6236 1.6236 1.6800 1.6800 3.2118 3.2118 3.2643 3.2643 3.8063 3.8063 3.9062 3.9062 4.8525 4.8525 4.9003 4.9003 6.5036 6.5036 6.6552 6.6552 9.3533 9.3533 9.4015 9.4015 9.9948 9.9948 10.1223 10.1223 k = 0.5000 0.3201-0.0000 ( 5102 PWs) bands (ev): -13.7694 -13.7694 -13.7623 -13.7623 -8.4690 -8.4690 -8.4623 -8.4623 -8.1093 -8.1093 -8.1089 -8.1089 -1.6421 -1.6421 -1.4507 -1.4507 -0.4852 -0.4852 -0.3422 -0.3422 1.7395 1.7395 1.7895 1.7895 3.2001 3.2001 3.2528 3.2528 3.7776 3.7776 3.8744 3.8744 4.8511 4.8511 4.8959 4.8959 6.4473 6.4473 6.5880 6.5880 9.3821 9.3821 9.4375 9.4375 10.0068 10.0068 10.1317 10.1317 k = 0.5000 0.3316-0.0000 ( 5098 PWs) bands (ev): -13.7555 -13.7555 -13.7489 -13.7489 -8.5090 -8.5090 -8.5026 -8.5026 -8.1086 -8.1086 -8.1082 -8.1082 -1.6034 -1.6034 -1.4151 -1.4151 -0.5333 -0.5333 -0.3884 -0.3884 1.8521 1.8521 1.8957 1.8957 3.1868 3.1868 3.2390 3.2390 3.7512 3.7512 3.8439 3.8439 4.8503 4.8503 4.8919 4.8919 6.3942 6.3942 6.5237 6.5237 9.4110 9.4110 9.4719 9.4719 10.0182 10.0182 10.1395 10.1395 k = 0.5000 0.3430-0.0000 ( 5106 PWs) bands (ev): -13.7425 -13.7425 -13.7364 -13.7364 -8.5463 -8.5463 -8.5402 -8.5402 -8.1075 -8.1075 -8.1072 -8.1072 -1.5632 -1.5632 -1.3786 -1.3786 -0.5814 -0.5814 -0.4353 -0.4353 1.9606 1.9606 1.9983 1.9983 3.1716 3.1716 3.2226 3.2226 3.7272 3.7272 3.8149 3.8149 4.8499 4.8499 4.8883 4.8883 6.3449 6.3449 6.4628 6.4628 9.4397 9.4397 9.5043 9.5043 10.0290 10.0290 10.1455 10.1455 k = 0.5000 0.3544-0.0000 ( 5094 PWs) bands (ev): -13.7305 -13.7305 -13.7249 -13.7249 -8.5803 -8.5803 -8.5747 -8.5747 -8.1063 -8.1063 -8.1060 -8.1060 -1.5219 -1.5219 -1.3416 -1.3416 -0.6290 -0.6290 -0.4826 -0.4826 2.0646 2.0646 2.0964 2.0964 3.1546 3.1546 3.2035 3.2035 3.7058 3.7058 3.7875 3.7875 4.8501 4.8501 4.8849 4.8849 6.2997 6.2997 6.4057 6.4057 9.4679 9.4679 9.5341 9.5341 10.0396 10.0396 10.1498 10.1498 k = 0.5000 0.3659-0.0000 ( 5092 PWs) bands (ev): -13.7196 -13.7196 -13.7145 -13.7145 -8.6109 -8.6109 -8.6058 -8.6058 -8.1050 -8.1050 -8.1048 -8.1048 -1.4796 -1.4796 -1.3048 -1.3048 -0.6755 -0.6755 -0.5300 -0.5300 2.1634 2.1634 2.1896 2.1896 3.1357 3.1357 3.1817 3.1817 3.6872 3.6872 3.7616 3.7616 4.8507 4.8507 4.8817 4.8817 6.2591 6.2591 6.3528 6.3528 9.4952 9.4952 9.5608 9.5608 10.0500 10.0500 10.1523 10.1523 k = 0.5000 0.3773-0.0000 ( 5094 PWs) bands (ev): -13.7098 -13.7098 -13.7054 -13.7054 -8.6378 -8.6378 -8.6333 -8.6333 -8.1038 -8.1038 -8.1037 -8.1037 -1.4366 -1.4366 -1.2689 -1.2689 -0.7199 -0.7199 -0.5772 -0.5772 2.2562 2.2562 2.2770 2.2770 3.1149 3.1149 3.1572 3.1572 3.6715 3.6715 3.7377 3.7377 4.8517 4.8517 4.8787 4.8787 6.2237 6.2237 6.3048 6.3048 9.5212 9.5212 9.5838 9.5838 10.0604 10.0604 10.1530 10.1530 k = 0.5000 0.3887-0.0000 ( 5094 PWs) bands (ev): -13.7013 -13.7013 -13.6976 -13.6976 -8.6608 -8.6608 -8.6570 -8.6570 -8.1027 -8.1027 -8.1026 -8.1026 -1.3932 -1.3932 -1.2355 -1.2355 -0.7610 -0.7610 -0.6238 -0.6238 2.3418 2.3418 2.3577 2.3577 3.0927 3.0927 3.1303 3.1303 3.6588 3.6588 3.7157 3.7157 4.8530 4.8530 4.8760 4.8760 6.1939 6.1939 6.2621 6.2621 9.5455 9.5455 9.6026 9.6026 10.0709 10.0709 10.1520 10.1520 k = 0.5000 0.4002-0.0000 ( 5108 PWs) bands (ev): -13.6942 -13.6942 -13.6911 -13.6911 -8.6798 -8.6798 -8.6767 -8.6767 -8.1018 -8.1018 -8.1017 -8.1017 -1.3501 -1.3501 -1.2067 -1.2067 -0.7964 -0.7964 -0.6693 -0.6693 2.4190 2.4190 2.4303 2.4303 3.0696 3.0696 3.1017 3.1017 3.6494 3.6494 3.6961 3.6961 4.8547 4.8547 4.8733 4.8733 6.1702 6.1702 6.2251 6.2251 9.5677 9.5677 9.6169 9.6169 10.0816 10.0816 10.1493 10.1493 k = 0.5000 0.4116-0.0000 ( 5108 PWs) bands (ev): -13.6885 -13.6885 -13.6862 -13.6862 -8.6946 -8.6946 -8.6922 -8.6922 -8.1010 -8.1010 -8.1009 -8.1009 -1.3079 -1.3079 -1.1858 -1.1858 -0.8229 -0.8229 -0.7129 -0.7129 2.4856 2.4856 2.4927 2.4927 3.0472 3.0472 3.0729 3.0729 3.6433 3.6433 3.6790 3.6790 4.8566 4.8566 4.8707 4.8707 6.1529 6.1529 6.1943 6.1943 9.5872 9.5872 9.6263 9.6263 10.0923 10.0923 10.1448 10.1448 k = 0.5000 0.4230-0.0000 ( 5116 PWs) bands (ev): -13.6842 -13.6842 -13.6827 -13.6827 -8.7051 -8.7051 -8.7035 -8.7035 -8.1005 -8.1005 -8.1004 -8.1004 -1.2678 -1.2678 -1.1767 -1.1767 -0.8365 -0.8365 -0.7535 -0.7535 2.5383 2.5383 2.5422 2.5422 3.0280 3.0280 3.0462 3.0462 3.6407 3.6407 3.6648 3.6648 4.8587 4.8587 4.8682 4.8682 6.1423 6.1423 6.1700 6.1700 9.6038 9.6038 9.6309 9.6309 10.1029 10.1029 10.1388 10.1388 k = 0.5000 0.4345-0.0000 ( 5112 PWs) bands (ev): -13.6815 -13.6815 -13.6807 -13.6807 -8.7113 -8.7113 -8.7105 -8.7105 -8.1001 -8.1001 -8.1001 -8.1001 -1.2315 -1.2315 -1.1823 -1.1823 -0.8345 -0.8345 -0.7893 -0.7893 2.5732 2.5732 2.5747 2.5747 3.0158 3.0158 3.0253 3.0253 3.6416 3.6416 3.6537 3.6537 4.8609 4.8609 4.8657 4.8657 6.1386 6.1386 6.1525 6.1525 9.6168 9.6168 9.6307 9.6307 10.1132 10.1132 10.1314 10.1314 k = 0.5000 0.4459-0.0000 ( 5108 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1000 -8.1000 -8.1000 -8.1000 -1.2018 -1.2018 -1.2018 -1.2018 -0.8175 -0.8175 -0.8175 -0.8175 2.5858 2.5858 2.5858 2.5858 3.0144 3.0144 3.0144 3.0144 3.6460 3.6460 3.6460 3.6460 4.8633 4.8633 4.8633 4.8633 6.1420 6.1420 6.1420 6.1420 9.6259 9.6259 9.6259 9.6259 10.1227 10.1227 10.1227 10.1227 k = 0.5000 0.4459-0.0000 ( 5108 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1000 -8.1000 -8.1000 -8.1000 -1.2018 -1.2018 -1.2018 -1.2018 -0.8175 -0.8175 -0.8175 -0.8175 2.5858 2.5858 2.5858 2.5858 3.0144 3.0144 3.0144 3.0144 3.6460 3.6460 3.6460 3.6460 4.8633 4.8633 4.8633 4.8633 6.1420 6.1420 6.1420 6.1420 9.6259 9.6259 9.6259 9.6259 10.1227 10.1227 10.1227 10.1227 k = 0.4886 0.4459-0.0000 ( 5112 PWs) bands (ev): -13.6819 -13.6819 -13.6808 -13.6808 -8.7139 -8.7139 -8.7134 -8.7134 -8.0991 -8.0991 -8.0964 -8.0964 -1.2211 -1.2211 -1.1829 -1.1829 -0.8348 -0.8348 -0.7954 -0.7954 2.5783 2.5783 2.5847 2.5847 3.0132 3.0132 3.0190 3.0190 3.6449 3.6449 3.6467 3.6467 4.8575 4.8575 4.8707 4.8707 6.1443 6.1443 6.1449 6.1449 9.5781 9.5781 9.6667 9.6667 10.0759 10.0759 10.1695 10.1695 k = 0.4773 0.4459-0.0000 ( 5104 PWs) bands (ev): -13.6856 -13.6856 -13.6833 -13.6833 -8.7160 -8.7160 -8.7148 -8.7148 -8.0936 -8.0936 -8.0883 -8.0883 -1.2403 -1.2403 -1.1655 -1.1655 -0.8463 -0.8463 -0.7689 -0.7689 2.5627 2.5627 2.5751 2.5751 3.0150 3.0150 3.0269 3.0269 3.6435 3.6435 3.6470 3.6470 4.8536 4.8536 4.8799 4.8799 6.1516 6.1516 6.1530 6.1530 9.5252 9.5252 9.6977 9.6977 10.0320 10.0320 10.2145 10.2145 k = 0.4659 0.4459-0.0000 ( 5096 PWs) bands (ev): -13.6913 -13.6913 -13.6878 -13.6878 -8.7191 -8.7191 -8.7175 -8.7175 -8.0836 -8.0836 -8.0757 -8.0757 -1.2589 -1.2589 -1.1506 -1.1506 -0.8507 -0.8507 -0.7385 -0.7385 2.5398 2.5398 2.5576 2.5576 3.0191 3.0191 3.0377 3.0377 3.6418 3.6418 3.6471 3.6471 4.8515 4.8515 4.8907 4.8907 6.1640 6.1640 6.1661 6.1661 9.4683 9.4683 9.7138 9.7138 9.9961 9.9961 10.2566 10.2566 k = 0.4545 0.4459-0.0000 ( 5096 PWs) bands (ev): -13.6989 -13.6989 -13.6944 -13.6944 -8.7235 -8.7235 -8.7214 -8.7214 -8.0690 -8.0690 -8.0586 -8.0586 -1.2769 -1.2769 -1.1398 -1.1398 -0.8468 -0.8468 -0.7044 -0.7044 2.5104 2.5104 2.5328 2.5328 3.0245 3.0245 3.0506 3.0506 3.6396 3.6396 3.6468 3.6468 4.8514 4.8514 4.9033 4.9033 6.1810 6.1810 6.1841 6.1841 9.4079 9.4079 9.7088 9.7088 9.9742 9.9742 10.2949 10.2949 k = 0.4432 0.4459-0.0000 ( 5090 PWs) bands (ev): -13.7084 -13.7084 -13.7029 -13.7029 -8.7291 -8.7291 -8.7266 -8.7266 -8.0499 -8.0499 -8.0372 -8.0372 -1.2941 -1.2941 -1.1338 -1.1338 -0.8336 -0.8336 -0.6666 -0.6666 2.4755 2.4755 2.5017 2.5017 3.0306 3.0306 3.0647 3.0647 3.6371 3.6371 3.6461 3.6461 4.8535 4.8535 4.9178 4.9178 6.2026 6.2026 6.2067 6.2067 9.3448 9.3448 9.6807 9.6807 9.9683 9.9683 10.3287 10.3287 k = 0.4318 0.4459-0.0000 ( 5072 PWs) bands (ev): -13.7197 -13.7197 -13.7132 -13.7132 -8.7358 -8.7358 -8.7331 -8.7331 -8.0262 -8.0262 -8.0113 -8.0113 -1.3105 -1.3105 -1.1329 -1.1329 -0.8110 -0.8110 -0.6252 -0.6252 2.4359 2.4359 2.4651 2.4651 3.0365 3.0365 3.0793 3.0793 3.6340 3.6340 3.6449 3.6449 4.8578 4.8578 4.9341 4.9341 6.2283 6.2283 6.2337 6.2337 9.2794 9.2794 9.6347 9.6347 9.9732 9.9732 10.3575 10.3575 k = 0.4205 0.4459-0.0000 ( 5084 PWs) bands (ev): -13.7328 -13.7328 -13.7253 -13.7253 -8.7439 -8.7439 -8.7409 -8.7409 -7.9980 -7.9980 -7.9812 -7.9812 -1.3262 -1.3262 -1.1364 -1.1364 -0.7796 -0.7796 -0.5801 -0.5801 2.3922 2.3922 2.4237 2.4237 3.0418 3.0418 3.0938 3.0938 3.6305 3.6305 3.6433 3.6433 4.8645 4.8645 4.9524 4.9524 6.2579 6.2579 6.2647 6.2647 9.2122 9.2122 9.5774 9.5774 9.9821 9.9821 10.3807 10.3807 k = 0.4091 0.4459-0.0000 ( 5084 PWs) bands (ev): -13.7475 -13.7475 -13.7390 -13.7390 -8.7531 -8.7531 -8.7501 -8.7501 -7.9655 -7.9655 -7.9469 -7.9469 -1.3411 -1.3411 -1.1431 -1.1431 -0.7407 -0.7407 -0.5314 -0.5314 2.3449 2.3449 2.3780 2.3780 3.0462 3.0462 3.1078 3.1078 3.6265 3.6265 3.6412 3.6412 4.8737 4.8737 4.9726 4.9726 6.2909 6.2909 6.2993 6.2993 9.1435 9.1435 9.5136 9.5136 9.9903 9.9903 10.3977 10.3977 k = 0.3977 0.4459-0.0000 ( 5084 PWs) bands (ev): -13.7636 -13.7636 -13.7544 -13.7544 -8.7636 -8.7636 -8.7606 -8.7606 -7.9287 -7.9287 -7.9086 -7.9086 -1.3554 -1.3554 -1.1521 -1.1521 -0.6952 -0.6952 -0.4791 -0.4791 2.2945 2.2945 2.3284 2.3284 3.0494 3.0494 3.1210 3.1210 3.6218 3.6218 3.6385 3.6385 4.8854 4.8854 4.9949 4.9949 6.3269 6.3269 6.3373 6.3373 9.0738 9.0738 9.4457 9.4457 9.9952 9.9952 10.4083 10.4083 k = 0.3864 0.4459-0.0000 ( 5080 PWs) bands (ev): -13.7811 -13.7811 -13.7711 -13.7711 -8.7753 -8.7753 -8.7723 -8.7723 -7.8878 -7.8878 -7.8663 -7.8663 -1.3689 -1.3689 -1.1625 -1.1625 -0.6442 -0.6442 -0.4231 -0.4231 2.2411 2.2411 2.2753 2.2753 3.0515 3.0515 3.1332 3.1332 3.6166 3.6166 3.6352 3.6352 4.8997 4.8997 5.0190 5.0190 6.3656 6.3656 6.3780 6.3780 9.0036 9.0036 9.3755 9.3755 9.9952 9.9952 10.4119 10.4119 k = 0.3750 0.4459-0.0000 ( 5100 PWs) bands (ev): -13.7998 -13.7998 -13.7892 -13.7892 -8.7880 -8.7880 -8.7852 -8.7852 -7.8430 -7.8430 -7.8203 -7.8203 -1.3817 -1.3817 -1.1736 -1.1736 -0.5882 -0.5882 -0.3637 -0.3637 2.1852 2.1852 2.2191 2.2191 3.0523 3.0523 3.1442 3.1442 3.6108 3.6108 3.6313 3.6313 4.9163 4.9163 5.0450 5.0450 6.4065 6.4065 6.4213 6.4213 8.9332 8.9332 9.3040 9.3040 9.9893 9.9893 10.4083 10.4083 k = 0.3636 0.4459-0.0000 ( 5100 PWs) bands (ev): -13.8196 -13.8196 -13.8084 -13.8084 -8.8018 -8.8018 -8.7991 -8.7991 -7.7944 -7.7944 -7.7709 -7.7709 -1.3937 -1.3937 -1.1850 -1.1850 -0.5278 -0.5278 -0.3007 -0.3007 2.1268 2.1268 2.1599 2.1599 3.0519 3.0519 3.1543 3.1543 3.6044 3.6044 3.6268 3.6268 4.9352 4.9352 5.0727 5.0727 6.4492 6.4492 6.4667 6.4667 8.8631 8.8631 9.2319 9.2319 9.9770 9.9770 10.3974 10.3974 k = 0.3523 0.4459-0.0000 ( 5104 PWs) bands (ev): -13.8404 -13.8404 -13.8286 -13.8286 -8.8166 -8.8166 -8.8141 -8.8141 -7.7425 -7.7425 -7.7182 -7.7182 -1.4050 -1.4050 -1.1963 -1.1963 -0.4635 -0.4635 -0.2344 -0.2344 2.0662 2.0662 2.0980 2.0980 3.0505 3.0505 3.1632 3.1632 3.5973 3.5973 3.6215 3.6215 4.9562 4.9562 5.1017 5.1017 6.4934 6.4934 6.5137 6.5137 8.7937 8.7937 9.1601 9.1601 9.9578 9.9578 10.3790 10.3790 k = 0.3409 0.4459-0.0000 ( 5110 PWs) bands (ev): -13.8620 -13.8620 -13.8497 -13.8497 -8.8321 -8.8321 -8.8299 -8.8299 -7.6873 -7.6873 -7.6624 -7.6624 -1.4153 -1.4153 -1.2071 -1.2071 -0.3957 -0.3957 -0.1650 -0.1650 2.0035 2.0035 2.0335 2.0335 3.0482 3.0482 3.1714 3.1714 3.5896 3.5896 3.6157 3.6157 4.9790 4.9790 5.1319 5.1319 6.5387 6.5387 6.5621 6.5621 8.7256 8.7256 9.0891 9.0891 9.9316 9.9316 10.3531 10.3531 k = 0.3295 0.4459-0.0000 ( 5104 PWs) bands (ev): -13.8842 -13.8842 -13.8716 -13.8716 -8.8485 -8.8485 -8.8465 -8.8465 -7.6293 -7.6293 -7.6040 -7.6040 -1.4248 -1.4248 -1.2174 -1.2174 -0.3247 -0.3247 -0.0926 -0.0926 1.9389 1.9389 1.9666 1.9666 3.0452 3.0452 3.1788 3.1788 3.5814 3.5814 3.6093 3.6093 5.0031 5.0031 5.1629 5.1629 6.5848 6.5848 6.6116 6.6116 8.6592 8.6592 9.0194 9.0194 9.8982 9.8982 10.3199 10.3199 k = 0.3182 0.4459-0.0000 ( 5100 PWs) bands (ev): -13.9069 -13.9069 -13.8940 -13.8940 -8.8655 -8.8655 -8.8638 -8.8638 -7.5686 -7.5686 -7.5431 -7.5431 -1.4331 -1.4331 -1.2267 -1.2267 -0.2509 -0.2509 -0.0175 -0.0175 1.8723 1.8723 1.8974 1.8974 3.0418 3.0418 3.1859 3.1859 3.5725 3.5725 3.6023 3.6023 5.0282 5.0282 5.1941 5.1941 6.6312 6.6312 6.6617 6.6617 8.5950 8.5950 8.9517 8.9517 9.8577 9.8577 10.2796 10.2796 k = 0.3068 0.4459-0.0000 ( 5100 PWs) bands (ev): -13.9300 -13.9300 -13.9169 -13.9169 -8.8830 -8.8830 -8.8815 -8.8815 -7.5056 -7.5056 -7.4800 -7.4800 -1.4402 -1.4402 -1.2350 -1.2350 -0.1746 -0.1746 0.0601 0.0601 1.8041 1.8041 1.8261 1.8261 3.0382 3.0382 3.1927 3.1927 3.5631 3.5631 3.5948 3.5948 5.0537 5.0537 5.2253 5.2253 6.6777 6.6777 6.7121 6.7121 8.5334 8.5334 8.8864 8.8864 9.8104 9.8104 10.2324 10.2324 k = 0.2955 0.4459-0.0000 ( 5108 PWs) bands (ev): -13.9534 -13.9534 -13.9402 -13.9402 -8.9009 -8.9009 -8.8997 -8.8997 -7.4405 -7.4405 -7.4150 -7.4150 -1.4460 -1.4460 -1.2420 -1.2420 -0.0963 -0.0963 0.1397 0.1397 1.7341 1.7341 1.7529 1.7529 3.0348 3.0348 3.1997 3.1997 3.5533 3.5533 3.5868 3.5868 5.0792 5.0792 5.2558 5.2558 6.7240 6.7240 6.7627 6.7627 8.4749 8.4749 8.8240 8.8240 9.7565 9.7565 10.1788 10.1788 k = 0.2841 0.4459-0.0000 ( 5108 PWs) bands (ev): -13.9769 -13.9769 -13.9636 -13.9636 -8.9192 -8.9192 -8.9182 -8.9182 -7.3738 -7.3738 -7.3485 -7.3485 -1.4503 -1.4503 -1.2475 -1.2475 -0.0164 -0.0164 0.2210 0.2210 1.6627 1.6627 1.6778 1.6778 3.0317 3.0317 3.2072 3.2072 3.5430 3.5430 3.5786 3.5786 5.1041 5.1041 5.2851 5.2851 6.7698 6.7698 6.8131 6.8131 8.4199 8.4199 8.7648 8.7648 9.6963 9.6963 10.1191 10.1191 k = 0.2727 0.4459-0.0000 ( 5104 PWs) bands (ev): -14.0004 -14.0004 -13.9871 -13.9871 -8.9376 -8.9376 -8.9369 -8.9369 -7.3057 -7.3057 -7.2807 -7.2807 -1.4530 -1.4530 -1.2514 -1.2514 0.0647 0.0647 0.3036 0.3036 1.5897 1.5897 1.6010 1.6010 3.0295 3.0295 3.2156 3.2156 3.5324 3.5324 3.5701 3.5701 5.1278 5.1278 5.3128 5.3128 6.8150 6.8150 6.8631 6.8631 8.3687 8.3687 8.7094 8.7094 9.6305 9.6305 10.0539 10.0539 k = 0.2614 0.4459-0.0000 ( 5108 PWs) bands (ev): -14.0238 -14.0238 -14.0105 -14.0105 -8.9562 -8.9562 -8.9557 -8.9557 -7.2365 -7.2365 -7.2121 -7.2121 -1.4539 -1.4539 -1.2535 -1.2535 0.1465 0.1465 0.3869 0.3869 1.5155 1.5155 1.5227 1.5227 3.0284 3.0284 3.2252 3.2252 3.5215 3.5215 3.5616 3.5616 5.1497 5.1497 5.3382 5.3382 6.8592 6.8592 6.9123 6.9123 8.3216 8.3216 8.6578 8.6578 9.5595 9.5595 9.9837 9.9837 k = 0.2500 0.4459-0.0000 ( 5100 PWs) bands (ev): -14.0469 -14.0469 -14.0338 -14.0338 -8.9747 -8.9747 -8.9744 -8.9744 -7.1667 -7.1667 -7.1428 -7.1428 -1.4528 -1.4528 -1.2536 -1.2536 0.2284 0.2284 0.4704 0.4704 1.4401 1.4401 1.4431 1.4431 3.0289 3.0289 3.2364 3.2364 3.5105 3.5105 3.5530 3.5530 5.1694 5.1694 5.3609 5.3609 6.9022 6.9022 6.9607 6.9607 8.2787 8.2787 8.6103 8.6103 9.4843 9.4843 9.9093 9.9093 k = 0.2386 0.4459-0.0000 ( 5100 PWs) bands (ev): -14.0697 -14.0697 -14.0567 -14.0567 -8.9931 -8.9931 -8.9930 -8.9930 -7.0964 -7.0964 -7.0733 -7.0733 -1.4495 -1.4495 -1.2516 -1.2516 0.3096 0.3096 0.5532 0.5532 1.3627 1.3627 1.3638 1.3638 3.0314 3.0314 3.2496 3.2496 3.4993 3.4993 3.5446 3.5446 5.1863 5.1863 5.3804 5.3804 6.9439 6.9439 7.0079 7.0079 8.2402 8.2402 8.5668 8.5668 9.4056 9.4056 9.8313 9.8313 k = 0.2273 0.4459-0.0000 ( 5098 PWs) bands (ev): -14.0920 -14.0920 -14.0793 -14.0793 -9.0114 -9.0114 -9.0114 -9.0114 -7.0262 -7.0262 -7.0039 -7.0039 -1.4440 -1.4440 -1.2473 -1.2473 0.3893 0.3893 0.6345 0.6345 1.2818 1.2818 1.2870 1.2870 3.0362 3.0362 3.2653 3.2653 3.4880 3.4880 3.5366 3.5366 5.2000 5.2000 5.3962 5.3962 6.9840 6.9840 7.0536 7.0536 8.2059 8.2059 8.5270 8.5270 9.3248 9.3248 9.7507 9.7507 k = 0.2159 0.4459-0.0000 ( 5092 PWs) bands (ev): -14.1138 -14.1138 -14.1014 -14.1014 -9.0294 -9.0294 -9.0293 -9.0293 -6.9563 -6.9563 -6.9349 -6.9349 -1.4359 -1.4359 -1.2405 -1.2405 0.4663 0.4663 0.7129 0.7129 1.2015 1.2015 1.2106 1.2106 3.0437 3.0437 3.2837 3.2837 3.4768 3.4768 3.5290 3.5290 5.2102 5.2102 5.4081 5.4081 7.0223 7.0223 7.0977 7.0977 8.1756 8.1756 8.4904 8.4904 9.2430 9.2430 9.6684 9.6684 k = 0.2045 0.4459-0.0000 ( 5096 PWs) bands (ev): -14.1349 -14.1349 -14.1229 -14.1229 -9.0471 -9.0471 -9.0468 -9.0468 -6.8871 -6.8871 -6.8668 -6.8668 -1.4253 -1.4253 -1.2310 -1.2310 0.5383 0.5383 0.7856 0.7856 1.1232 1.1232 1.1367 1.1367 3.0545 3.0545 3.3054 3.3054 3.4658 3.4658 3.5222 3.5222 5.2165 5.2165 5.4157 5.4157 7.0586 7.0586 7.1397 7.1397 8.1490 8.1490 8.4560 8.4560 9.1623 9.1623 9.5855 9.5855 k = 0.1932 0.4459-0.0000 ( 5088 PWs) bands (ev): -14.1553 -14.1553 -14.1437 -14.1437 -9.0642 -9.0642 -9.0638 -9.0638 -6.8190 -6.8190 -6.7997 -6.7997 -1.4118 -1.4118 -1.2188 -1.2188 0.6017 0.6017 0.8449 0.8449 1.0507 1.0507 1.0724 1.0724 3.0686 3.0686 3.3304 3.3304 3.4552 3.4552 3.5165 3.5165 5.2187 5.2187 5.4188 5.4188 7.0926 7.0926 7.1792 7.1792 8.1256 8.1256 8.4225 8.4225 9.0846 9.0846 9.5032 9.5032 k = 0.1818 0.4459-0.0000 ( 5080 PWs) bands (ev): -14.1749 -14.1749 -14.1638 -14.1638 -9.0808 -9.0808 -9.0803 -9.0803 -6.7523 -6.7523 -6.7341 -6.7341 -1.3953 -1.3953 -1.2038 -1.2038 0.6477 0.6477 0.8652 0.8652 0.9921 0.9921 1.0427 1.0427 3.0865 3.0865 3.3589 3.3589 3.4453 3.4453 3.5121 3.5121 5.2168 5.2168 5.4174 5.4174 7.1238 7.1238 7.2159 7.2159 8.1048 8.1048 8.3882 8.3882 9.0124 9.0124 9.4228 9.4228 k = 0.1705 0.4459-0.0000 ( 5084 PWs) bands (ev): -14.1937 -14.1937 -14.1831 -14.1831 -9.0967 -9.0967 -9.0962 -9.0962 -6.6873 -6.6873 -6.6704 -6.6704 -1.3757 -1.3757 -1.1857 -1.1857 0.6605 0.6605 0.8246 0.8246 0.9630 0.9630 1.0692 1.0692 3.1079 3.1079 3.3893 3.3893 3.4378 3.4378 3.5097 3.5097 5.2108 5.2108 5.4115 5.4115 7.1520 7.1520 7.2492 7.2492 8.0860 8.0860 8.3512 8.3512 8.9487 8.9487 9.3457 9.3457 k = 0.1591 0.4459-0.0000 ( 5088 PWs) bands (ev): -14.2115 -14.2115 -14.2014 -14.2014 -9.1119 -9.1119 -9.1113 -9.1113 -6.6245 -6.6245 -6.6089 -6.6089 -1.3529 -1.3529 -1.1646 -1.1646 0.6298 0.6298 0.7547 0.7547 0.9734 0.9734 1.1195 1.1195 3.1327 3.1327 3.4096 3.4096 3.4452 3.4452 3.5099 3.5099 5.2008 5.2008 5.4010 5.4010 7.1767 7.1767 7.2785 7.2785 8.0685 8.0685 8.3099 8.3099 8.8958 8.8958 9.2731 9.2731 k = 0.1477 0.4459-0.0000 ( 5084 PWs) bands (ev): -14.2283 -14.2283 -14.2188 -14.2188 -9.1263 -9.1263 -9.1257 -9.1257 -6.5643 -6.5643 -6.5498 -6.5498 -1.3268 -1.3268 -1.1404 -1.1404 0.5686 0.5686 0.6761 0.6761 1.0102 1.0102 1.1729 1.1729 3.1601 3.1601 3.4070 3.4070 3.4802 3.4802 3.5137 3.5137 5.1869 5.1869 5.3861 5.3861 7.1973 7.1973 7.3030 7.3030 8.0518 8.0518 8.2636 8.2636 8.8554 8.8554 9.2066 9.2066 k = 0.1364 0.4459-0.0000 ( 5092 PWs) bands (ev): -14.2441 -14.2441 -14.2352 -14.2352 -9.1399 -9.1399 -9.1393 -9.1393 -6.5068 -6.5068 -6.4937 -6.4937 -1.2972 -1.2972 -1.1130 -1.1130 0.4929 0.4929 0.5944 0.5944 1.0574 1.0574 1.2236 1.2236 3.1889 3.1889 3.3991 3.3991 3.5224 3.5224 3.5251 3.5251 5.1693 5.1693 5.3669 5.3669 7.2133 7.2133 7.3219 7.3219 8.0353 8.0353 8.2131 8.2131 8.8278 8.8278 9.1471 9.1471 k = 0.1250 0.4459-0.0000 ( 5096 PWs) bands (ev): -14.2587 -14.2587 -14.2504 -14.2504 -9.1526 -9.1526 -9.1519 -9.1519 -6.4525 -6.4525 -6.4406 -6.4406 -1.2642 -1.2642 -1.0825 -1.0825 0.4109 0.4109 0.5113 0.5113 1.1068 1.1068 1.2698 1.2698 3.2172 3.2172 3.3907 3.3907 3.5376 3.5376 3.5749 3.5749 5.1483 5.1483 5.3436 5.3436 7.2244 7.2244 7.3344 7.3344 8.0190 8.0190 8.1608 8.1608 8.8118 8.8118 9.0954 9.0954 k = 0.1136 0.4459-0.0000 ( 5088 PWs) bands (ev): -14.2722 -14.2722 -14.2646 -14.2646 -9.1643 -9.1643 -9.1637 -9.1637 -6.4018 -6.4018 -6.3911 -6.3911 -1.2278 -1.2278 -1.0490 -1.0490 0.3263 0.3263 0.4279 0.4279 1.1549 1.1549 1.3105 1.3105 3.2432 3.2432 3.3825 3.3825 3.5609 3.5609 3.6285 3.6285 5.1244 5.1244 5.3164 5.3164 7.2301 7.2301 7.3394 7.3394 8.0029 8.0029 8.1095 8.1095 8.8055 8.8055 9.0520 9.0520 k = 0.1023 0.4459-0.0000 ( 5088 PWs) bands (ev): -14.2845 -14.2845 -14.2776 -14.2776 -9.1750 -9.1750 -9.1745 -9.1745 -6.3548 -6.3548 -6.3454 -6.3454 -1.1880 -1.1880 -1.0128 -1.0128 0.2410 0.2410 0.3447 0.3447 1.2003 1.2003 1.3457 1.3457 3.2650 3.2650 3.3747 3.3747 3.5933 3.5933 3.6848 3.6848 5.0981 5.0981 5.2855 5.2855 7.2306 7.2306 7.3366 7.3366 7.9875 7.9875 8.0624 8.0624 8.8066 8.8066 9.0167 9.0167 k = 0.0909 0.4459-0.0000 ( 5062 PWs) bands (ev): -14.2955 -14.2955 -14.2893 -14.2893 -9.1848 -9.1848 -9.1842 -9.1842 -6.3119 -6.3119 -6.3037 -6.3037 -1.1449 -1.1449 -0.9740 -0.9740 0.1564 0.1564 0.2623 0.2623 1.2421 1.2421 1.3752 1.3752 3.2820 3.2820 3.3673 3.3673 3.6347 3.6347 3.7428 3.7428 5.0699 5.0699 5.2512 5.2512 7.2260 7.2260 7.3259 7.3259 7.9731 7.9731 8.0219 8.0219 8.8131 8.8131 8.9891 8.9891 k = 0.0795 0.4459-0.0000 ( 5058 PWs) bands (ev): -14.3053 -14.3053 -14.2998 -14.2998 -9.1934 -9.1934 -9.1929 -9.1929 -6.2734 -6.2734 -6.2663 -6.2663 -1.0987 -1.0987 -0.9333 -0.9333 0.0736 0.0736 0.1813 0.1813 1.2801 1.2801 1.3992 1.3992 3.2946 3.2946 3.3605 3.3605 3.6837 3.6837 3.8008 3.8008 5.0409 5.0409 5.2140 5.2140 7.2173 7.2173 7.3081 7.3081 7.9604 7.9604 7.9891 7.9891 8.8232 8.8232 8.9680 8.9680 k = 0.0682 0.4459-0.0000 ( 5058 PWs) bands (ev): -14.3137 -14.3137 -14.3090 -14.3090 -9.2010 -9.2010 -9.2005 -9.2005 -6.2394 -6.2394 -6.2334 -6.2334 -1.0499 -1.0499 -0.8915 -0.8915 -0.0060 -0.0060 0.1023 0.1023 1.3140 1.3140 1.4179 1.4179 3.3035 3.3035 3.3542 3.3542 3.7378 3.7378 3.8571 3.8571 5.0121 5.0121 5.1742 5.1742 7.2057 7.2057 7.2850 7.2850 7.9495 7.9495 7.9643 7.9643 8.8355 8.8355 8.9524 8.9524 k = 0.0568 0.4459-0.0000 ( 5062 PWs) bands (ev): -14.3209 -14.3209 -14.3169 -14.3169 -9.2074 -9.2074 -9.2070 -9.2070 -6.2103 -6.2103 -6.2054 -6.2054 -0.9989 -0.9989 -0.8499 -0.8499 -0.0808 -0.0808 0.0260 0.0260 1.3440 1.3440 1.4317 1.4317 3.3099 3.3099 3.3485 3.3485 3.7944 3.7944 3.9094 3.9094 4.9852 4.9852 5.1329 5.1329 7.1926 7.1926 7.2589 7.2589 7.9405 7.9405 7.9465 7.9465 8.8488 8.8488 8.9410 8.9410 k = 0.0455 0.4459-0.0000 ( 5066 PWs) bands (ev): -14.3267 -14.3267 -14.3235 -14.3235 -9.2127 -9.2127 -9.2124 -9.2124 -6.1861 -6.1861 -6.1822 -6.1822 -0.9467 -0.9467 -0.8109 -0.8109 -0.1481 -0.1481 -0.0463 -0.0463 1.3699 1.3699 1.4408 1.4408 3.3146 3.3146 3.3433 3.3433 3.8506 3.8506 3.9547 3.9547 4.9624 4.9624 5.0910 5.0910 7.1798 7.1798 7.2325 7.2325 7.9335 7.9335 7.9345 7.9345 8.8621 8.8621 8.9324 8.9324 k = 0.0341 0.4459-0.0000 ( 5068 PWs) bands (ev): -14.3311 -14.3311 -14.3287 -14.3287 -9.2168 -9.2168 -9.2166 -9.2166 -6.1670 -6.1670 -6.1641 -6.1641 -0.8945 -0.8945 -0.7781 -0.7781 -0.2042 -0.2042 -0.1133 -0.1133 1.3920 1.3920 1.4456 1.4456 3.3183 3.3183 3.3387 3.3387 3.9035 3.9035 3.9901 3.9901 4.9459 4.9459 5.0501 5.0501 7.1690 7.1690 7.2080 7.2080 7.9269 7.9269 7.9282 7.9282 8.8748 8.8748 8.9254 8.9254 k = 0.0227 0.4459-0.0000 ( 5056 PWs) bands (ev): -14.3342 -14.3342 -14.3326 -14.3326 -9.2198 -9.2198 -9.2196 -9.2196 -6.1532 -6.1532 -6.1513 -6.1513 -0.8448 -0.8448 -0.7567 -0.7567 -0.2435 -0.2435 -0.1726 -0.1726 1.4103 1.4103 1.4462 1.4462 3.3215 3.3215 3.3346 3.3346 3.9499 3.9499 4.0124 4.0124 4.9383 4.9383 5.0123 5.0123 7.1618 7.1618 7.1875 7.1875 7.9226 7.9226 7.9243 7.9243 8.8863 8.8863 8.9191 8.9191 k = 0.0114 0.4459-0.0000 ( 5062 PWs) bands (ev): -14.3359 -14.3359 -14.3351 -14.3351 -9.2215 -9.2215 -9.2214 -9.2214 -6.1447 -6.1447 -6.1437 -6.1437 -0.8010 -0.8010 -0.7526 -0.7526 -0.2602 -0.2602 -0.2204 -0.2204 1.4249 1.4249 1.4429 1.4429 3.3245 3.3245 3.3309 3.3309 3.9866 3.9866 4.0195 4.0195 4.9413 4.9413 4.9799 4.9799 7.1594 7.1594 7.1722 7.1722 7.9207 7.9207 7.9218 7.9218 8.8964 8.8964 8.9125 8.9125 k = 0.0000 0.4459-0.0000 ( 5070 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2221 -9.2221 -9.2221 -9.2221 -6.1415 -6.1415 -6.1415 -6.1415 -0.7683 -0.7683 -0.7683 -0.7683 -0.2515 -0.2515 -0.2515 -0.2515 1.4358 1.4358 1.4358 1.4358 3.3276 3.3276 3.3276 3.3276 4.0106 4.0106 4.0106 4.0106 4.9555 4.9555 4.9555 4.9555 7.1628 7.1628 7.1628 7.1628 7.9205 7.9205 7.9205 7.9205 8.9051 8.9051 8.9051 8.9051 k = 0.0000 0.4459-0.0000 ( 5070 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2221 -9.2221 -9.2221 -9.2221 -6.1415 -6.1415 -6.1415 -6.1415 -0.7683 -0.7683 -0.7683 -0.7683 -0.2515 -0.2515 -0.2515 -0.2515 1.4358 1.4358 1.4358 1.4358 3.3276 3.3276 3.3276 3.3276 4.0106 4.0106 4.0106 4.0106 4.9555 4.9555 4.9555 4.9555 7.1628 7.1628 7.1628 7.1628 7.9205 7.9205 7.9205 7.9205 8.9051 8.9051 8.9051 8.9051 k = 0.0000 0.4345-0.0000 ( 5066 PWs) bands (ev): -14.3992 -14.3992 -14.2726 -14.2726 -9.2406 -9.2406 -9.2041 -9.2041 -6.1826 -6.1826 -6.0979 -6.0979 -0.8296 -0.8296 -0.7083 -0.7083 -0.3370 -0.3370 -0.1642 -0.1642 1.3862 1.3862 1.4861 1.4861 3.3240 3.3240 3.3331 3.3331 4.0045 4.0045 4.0163 4.0163 4.9361 4.9361 4.9702 4.9702 7.0921 7.0921 7.2229 7.2229 7.8737 7.8737 7.9765 7.9765 8.8707 8.8707 8.9402 8.9402 k = 0.0000 0.4230-0.0000 ( 5062 PWs) bands (ev): -14.4615 -14.4615 -14.2086 -14.2086 -9.2595 -9.2595 -9.1868 -9.1868 -6.2211 -6.2211 -6.0519 -6.0519 -0.8913 -0.8913 -0.6529 -0.6529 -0.4172 -0.4172 -0.0759 -0.0759 1.3375 1.3375 1.5371 1.5371 3.3223 3.3223 3.3404 3.3404 3.9979 3.9979 4.0215 4.0215 4.9117 4.9117 4.9804 4.9804 7.0146 7.0146 7.2677 7.2677 7.8411 7.8411 8.0376 8.0376 8.8370 8.8370 8.9759 8.9759 k = 0.0000 0.4116-0.0000 ( 5060 PWs) bands (ev): -14.5231 -14.5231 -14.1442 -14.1442 -9.2789 -9.2789 -9.1701 -9.1701 -6.2570 -6.2570 -6.0033 -6.0033 -0.9530 -0.9530 -0.6176 -0.6176 -0.4767 -0.4767 0.0130 0.0130 1.2899 1.2899 1.5887 1.5887 3.3228 3.3228 3.3493 3.3493 3.9908 3.9908 4.0263 4.0263 4.8819 4.8819 4.9865 4.9865 6.9326 6.9326 7.2920 7.2920 7.8284 7.8284 8.1011 8.1011 8.8045 8.8045 9.0119 9.0119 k = 0.0000 0.4002-0.0000 ( 5062 PWs) bands (ev): -14.5839 -14.5839 -14.0796 -14.0796 -9.2985 -9.2985 -9.1542 -9.1542 -6.2905 -6.2905 -5.9523 -5.9523 -1.0146 -1.0146 -0.6463 -0.6463 -0.4714 -0.4714 0.1020 0.1020 1.2435 1.2435 1.6407 1.6407 3.3254 3.3254 3.3595 3.3595 3.9833 3.9833 4.0306 4.0306 4.8467 4.8467 4.9886 4.9886 6.8478 6.8478 7.2938 7.2938 7.8378 7.8378 8.1652 8.1652 8.7732 8.7732 9.0482 9.0482 k = 0.0000 0.3887-0.0000 ( 5056 PWs) bands (ev): -14.6437 -14.6437 -14.0149 -14.0149 -9.3183 -9.3183 -9.1390 -9.1390 -6.3214 -6.3214 -5.8990 -5.8990 -1.0760 -1.0760 -0.7179 -0.7179 -0.4225 -0.4225 0.1910 0.1910 1.1985 1.1985 1.6930 1.6930 3.3301 3.3301 3.3709 3.3709 3.9753 3.9753 4.0346 4.0346 4.8059 4.8059 4.9870 4.9870 6.7615 6.7615 7.2764 7.2764 7.8664 7.8664 8.2286 8.2286 8.7436 8.7436 9.0846 9.0846 k = 0.0000 0.3773-0.0000 ( 5060 PWs) bands (ev): -14.7026 -14.7026 -13.9502 -13.9502 -9.3382 -9.3382 -9.1246 -9.1246 -6.3498 -6.3498 -5.8433 -5.8433 -1.1373 -1.1373 -0.7984 -0.7984 -0.3638 -0.3638 0.2798 0.2798 1.1549 1.1549 1.7454 1.7454 3.3371 3.3371 3.3831 3.3831 3.9668 3.9668 4.0381 4.0381 4.7595 4.7595 4.9817 4.9817 6.6748 6.6748 7.2464 7.2464 7.9077 7.9077 8.2901 8.2901 8.7160 8.7160 9.1209 9.1209 k = 0.0000 0.3659-0.0000 ( 5066 PWs) bands (ev): -14.7603 -14.7603 -13.8857 -13.8857 -9.3581 -9.3581 -9.1111 -9.1111 -6.3757 -6.3757 -5.7855 -5.7855 -1.1985 -1.1985 -0.8806 -0.8806 -0.3024 -0.3024 0.3682 0.3682 1.1132 1.1132 1.7980 1.7980 3.3463 3.3463 3.3960 3.3960 3.9577 3.9577 4.0412 4.0412 4.7077 4.7077 4.9728 4.9728 6.5885 6.5885 7.2100 7.2100 7.9555 7.9555 8.3486 8.3486 8.6912 8.6912 9.1571 9.1571 k = 0.0000 0.3544-0.0000 ( 5062 PWs) bands (ev): -14.8169 -14.8169 -13.8214 -13.8214 -9.3779 -9.3779 -9.0985 -9.0985 -6.3992 -6.3992 -5.7255 -5.7255 -1.2600 -1.2600 -0.9625 -0.9625 -0.2401 -0.2401 0.4558 0.4558 1.0736 1.0736 1.8505 1.8505 3.3576 3.3576 3.4091 3.4091 3.9482 3.9482 4.0440 4.0440 4.6507 4.6507 4.9603 4.9603 6.5038 6.5038 7.1715 7.1715 8.0052 8.0052 8.4028 8.4028 8.6706 8.6706 9.1930 9.1930 k = 0.0000 0.3430-0.0000 ( 5061 PWs) bands (ev): -14.8723 -14.8723 -13.7575 -13.7575 -9.3974 -9.3974 -9.0867 -9.0867 -6.4202 -6.4202 -5.6635 -5.6635 -1.3218 -1.3218 -1.0431 -1.0431 -0.1777 -0.1777 0.5420 0.5420 1.0367 1.0367 1.9027 1.9027 3.3709 3.3709 3.4220 3.4220 3.9380 3.9380 4.0464 4.0464 4.5890 4.5890 4.9440 4.9440 6.4215 6.4215 7.1336 7.1336 8.0537 8.0537 8.4502 8.4502 8.6567 8.6567 9.2286 9.2286 k = 0.0000 0.3316-0.0000 ( 5075 PWs) bands (ev): -14.9264 -14.9264 -13.6942 -13.6942 -9.4166 -9.4166 -9.0757 -9.0757 -6.4389 -6.4389 -5.5996 -5.5996 -1.3846 -1.3846 -1.1217 -1.1217 -0.1155 -0.1155 0.6257 0.6257 1.0036 1.0036 1.9547 1.9547 3.3862 3.3862 3.4344 3.4344 3.9271 3.9271 4.0486 4.0486 4.5231 4.5231 4.9239 4.9239 6.3428 6.3428 7.0979 7.0979 8.0987 8.0987 8.4865 8.4865 8.6544 8.6544 9.2638 9.2638 k = 0.0000 0.3201-0.0000 ( 5067 PWs) bands (ev): -14.9792 -14.9792 -13.6315 -13.6315 -9.4354 -9.4354 -9.0657 -9.0657 -6.4551 -6.4551 -5.5340 -5.5340 -1.4486 -1.4486 -1.1976 -1.1976 -0.0537 -0.0537 0.7043 0.7043 0.9771 0.9771 2.0062 2.0062 3.4033 3.4033 3.4457 3.4457 3.9154 3.9154 4.0505 4.0505 4.4539 4.4539 4.8997 4.8997 6.2689 6.2689 7.0653 7.0653 8.1383 8.1383 8.5066 8.5066 8.6692 8.6692 9.2985 9.2985 k = 0.0000 0.3087-0.0000 ( 5077 PWs) bands (ev): -15.0305 -15.0305 -13.5697 -13.5697 -9.4536 -9.4536 -9.0564 -9.0564 -6.4691 -6.4691 -5.4668 -5.4668 -1.5144 -1.5144 -1.2701 -1.2701 0.0072 0.0072 0.7702 0.7702 0.9645 0.9645 2.0571 2.0571 3.4218 3.4218 3.4554 3.4554 3.9028 3.9028 4.0522 4.0522 4.3824 4.3824 4.8712 4.8712 6.2010 6.2010 7.0362 7.0362 8.1713 8.1713 8.5119 8.5119 8.7004 8.7004 9.3328 9.3328 k = 0.0000 0.2973-0.0000 ( 5081 PWs) bands (ev): -15.0804 -15.0804 -13.5089 -13.5089 -9.4713 -9.4713 -9.0480 -9.0480 -6.4808 -6.4808 -5.3981 -5.3981 -1.5824 -1.5824 -1.3387 -1.3387 0.0672 0.0672 0.8069 0.8069 0.9824 0.9824 2.1072 2.1072 3.4414 3.4414 3.4630 3.4630 3.8890 3.8890 4.0537 4.0537 4.3097 4.3097 4.8385 4.8385 6.1400 6.1400 7.0107 7.0107 8.1965 8.1965 8.5096 8.5096 8.7412 8.7412 9.3666 9.3666 k = 0.0000 0.2858-0.0000 ( 5081 PWs) bands (ev): -15.1287 -15.1287 -13.4491 -13.4491 -9.4882 -9.4882 -9.0404 -9.0404 -6.4902 -6.4902 -5.3283 -5.3283 -1.6528 -1.6528 -1.4030 -1.4030 0.1259 0.1259 0.8097 0.8097 1.0357 1.0357 2.1565 2.1565 3.4609 3.4609 3.4685 3.4685 3.8737 3.8737 4.0549 4.0549 4.2375 4.2375 4.8017 4.8017 6.0871 6.0871 6.9887 6.9887 8.2136 8.2136 8.5051 8.5051 8.7864 8.7864 9.4000 9.4000 k = 0.0000 0.2744-0.0000 ( 5083 PWs) bands (ev): -15.1756 -15.1756 -13.3906 -13.3906 -9.5044 -9.5044 -9.0335 -9.0335 -6.4975 -6.4975 -5.2574 -5.2574 -1.7255 -1.7255 -1.4630 -1.4630 0.1831 0.1831 0.7965 0.7965 1.1062 1.1062 2.2047 2.2047 3.4673 3.4673 3.4831 3.4831 3.8567 3.8567 4.0557 4.0557 4.1678 4.1678 4.7613 4.7613 6.0428 6.0428 6.9700 6.9700 8.2229 8.2229 8.5003 8.5003 8.8337 8.8337 9.4328 9.4328 k = 0.0000 0.2630-0.0000 ( 5083 PWs) bands (ev): -15.2208 -15.2208 -13.3335 -13.3335 -9.5197 -9.5197 -9.0274 -9.0274 -6.5026 -6.5026 -5.1856 -5.1856 -1.8002 -1.8002 -1.5188 -1.5188 0.2384 0.2384 0.7794 0.7794 1.1821 1.1821 2.2517 2.2517 3.4636 3.4636 3.5016 3.5016 3.8377 3.8377 4.0536 4.0536 4.1054 4.1054 4.7180 4.7180 6.0077 6.0077 6.9544 6.9544 8.2251 8.2251 8.4956 8.4956 8.8817 8.8817 9.4653 9.4653 k = 0.0000 0.2515-0.0000 ( 5091 PWs) bands (ev): -15.2643 -15.2643 -13.2780 -13.2780 -9.5342 -9.5342 -9.0220 -9.0220 -6.5057 -6.5057 -5.1134 -5.1134 -1.8764 -1.8764 -1.5707 -1.5707 0.2914 0.2914 0.7628 0.7628 1.2589 1.2589 2.2974 2.2974 3.4539 3.4539 3.5169 3.5169 3.8172 3.8172 4.0288 4.0288 4.0726 4.0726 4.6731 4.6731 5.9818 5.9818 6.9415 6.9415 8.2217 8.2217 8.4902 8.4902 8.9299 8.9299 9.4973 9.4973 k = 0.0000 0.2401-0.0000 ( 5091 PWs) bands (ev): -15.3062 -15.3062 -13.2241 -13.2241 -9.5477 -9.5477 -9.0172 -9.0172 -6.5067 -6.5067 -5.0408 -5.0408 -1.9536 -1.9536 -1.6192 -1.6192 0.3413 0.3413 0.7488 0.7488 1.3349 1.3349 2.3416 2.3416 3.4373 3.4373 3.5252 3.5252 3.7971 3.7971 3.9832 3.9832 4.0701 4.0701 4.6278 4.6278 5.9648 5.9648 6.9310 6.9310 8.2138 8.2138 8.4835 8.4835 8.9779 8.9779 9.5289 9.5289 k = 0.0000 0.2287-0.0000 ( 5099 PWs) bands (ev): -15.3463 -15.3463 -13.1721 -13.1721 -9.5602 -9.5602 -9.0131 -9.0131 -6.5059 -6.5059 -4.9681 -4.9681 -2.0312 -2.0312 -1.6645 -1.6645 0.3874 0.3874 0.7389 0.7389 1.4091 1.4091 2.3842 2.3842 3.4127 3.4127 3.5219 3.5219 3.7820 3.7820 3.9432 3.9432 4.0726 4.0726 4.5837 4.5837 5.9564 5.9564 6.9226 6.9226 8.2027 8.2027 8.4747 8.4747 9.0254 9.0254 9.5600 9.5600 k = 0.0000 0.2172-0.0000 ( 5107 PWs) bands (ev): -15.3847 -15.3847 -13.1220 -13.1220 -9.5718 -9.5718 -9.0094 -9.0094 -6.5032 -6.5032 -4.8957 -4.8957 -2.1088 -2.1088 -1.7070 -1.7070 0.4287 0.4287 0.7343 0.7343 1.4806 1.4806 2.4250 2.4250 3.3797 3.3797 3.5034 3.5034 3.7768 3.7768 3.9115 3.9115 4.0768 4.0768 4.5420 4.5420 5.9559 5.9559 6.9160 6.9160 8.1892 8.1892 8.4634 8.4634 9.0719 9.0719 9.5908 9.5908 k = 0.0000 0.2058-0.0000 ( 5107 PWs) bands (ev): -15.4213 -15.4213 -13.0739 -13.0739 -9.5823 -9.5823 -9.0064 -9.0064 -6.4988 -6.4988 -4.8238 -4.8238 -2.1859 -2.1859 -1.7468 -1.7468 0.4639 0.4639 0.7364 0.7364 1.5487 1.5487 2.4638 2.4638 3.3384 3.3384 3.4707 3.4707 3.7828 3.7828 3.8867 3.8867 4.0823 4.0823 4.5039 4.5039 5.9625 5.9625 6.9110 6.9110 8.1739 8.1739 8.4495 8.4495 9.1174 9.1174 9.6212 9.6212 k = 0.0000 0.1944-0.0000 ( 5107 PWs) bands (ev): -15.4561 -15.4561 -13.0280 -13.0280 -9.5918 -9.5918 -9.0037 -9.0037 -6.4928 -6.4928 -4.7528 -4.7528 -2.2621 -2.2621 -1.7841 -1.7841 0.4921 0.4921 0.7461 0.7461 1.6128 1.6128 2.5006 2.5006 3.2898 3.2898 3.4279 3.4279 3.7970 3.7970 3.8671 3.8671 4.0894 4.0894 4.4702 4.4702 5.9757 5.9757 6.9072 6.9072 8.1573 8.1573 8.4332 8.4332 9.1615 9.1615 9.6511 9.6511 k = 0.0000 0.1829-0.0000 ( 5115 PWs) bands (ev): -15.4891 -15.4891 -12.9843 -12.9843 -9.6004 -9.6004 -9.0016 -9.0016 -6.4853 -6.4853 -4.6830 -4.6830 -2.3370 -2.3370 -1.8190 -1.8190 0.5133 0.5133 0.7635 0.7635 1.6720 1.6720 2.5350 2.5350 3.2361 3.2361 3.3790 3.3790 3.8156 3.8156 3.8516 3.8516 4.0981 4.0981 4.4412 4.4412 5.9945 5.9945 6.9044 6.9044 8.1394 8.1394 8.4146 8.4146 9.2040 9.2040 9.6806 9.6806 k = 0.0000 0.1715-0.0000 ( 5115 PWs) bands (ev): -15.5201 -15.5201 -12.9430 -12.9430 -9.6079 -9.6079 -8.9998 -8.9998 -6.4765 -6.4765 -4.6148 -4.6148 -2.4102 -2.4102 -1.8516 -1.8516 0.5288 0.5288 0.7873 0.7873 1.7256 1.7256 2.5669 2.5669 3.1798 3.1798 3.3268 3.3268 3.8318 3.8318 3.8433 3.8433 4.1088 4.1088 4.4170 4.4170 6.0183 6.0183 6.9024 6.9024 8.1204 8.1204 8.3944 8.3944 9.2447 9.2447 9.7096 9.7096 k = 0.0000 0.1601-0.0000 ( 5115 PWs) bands (ev): -15.5493 -15.5493 -12.9042 -12.9042 -9.6146 -9.6146 -8.9983 -8.9983 -6.4666 -6.4666 -4.5485 -4.5485 -2.4815 -2.4815 -1.8821 -1.8821 0.5403 0.5403 0.8155 0.8155 1.7726 1.7726 2.5962 2.5962 3.1234 3.1234 3.2732 3.2732 3.8254 3.8254 3.8599 3.8599 4.1214 4.1214 4.3974 4.3974 6.0462 6.0462 6.9010 6.9010 8.1002 8.1002 8.3730 8.3730 9.2833 9.2833 9.7382 9.7382 k = 0.0000 0.1486-0.0000 ( 5119 PWs) bands (ev): -15.5765 -15.5765 -12.8678 -12.8678 -9.6203 -9.6203 -8.9971 -8.9971 -6.4556 -6.4556 -4.4844 -4.4844 -2.5503 -2.5503 -1.9103 -1.9103 0.5499 0.5499 0.8462 0.8462 1.8118 1.8118 2.6224 2.6224 3.0692 3.0692 3.2195 3.2195 3.8165 3.8165 3.8796 3.8796 4.1362 4.1362 4.3819 4.3819 6.0777 6.0777 6.9001 6.9001 8.0788 8.0788 8.3510 8.3510 9.3199 9.3199 9.7661 9.7661 k = 0.0000 0.1372-0.0000 ( 5119 PWs) bands (ev): -15.6018 -15.6018 -12.8340 -12.8340 -9.6253 -9.6253 -8.9962 -8.9962 -6.4439 -6.4439 -4.4231 -4.4231 -2.6163 -2.6163 -1.9364 -1.9364 0.5589 0.5589 0.8778 0.8778 1.8424 1.8424 2.6454 2.6454 3.0194 3.0194 3.1670 3.1670 3.8085 3.8085 3.8978 3.8978 4.1529 4.1529 4.3702 4.3702 6.1119 6.1119 6.8996 6.8996 8.0560 8.0560 8.3292 8.3292 9.3540 9.3540 9.7934 9.7934 k = 0.0000 0.1258-0.0000 ( 5111 PWs) bands (ev): -15.6252 -15.6252 -12.8028 -12.8028 -9.6294 -9.6294 -8.9955 -8.9955 -6.4317 -6.4317 -4.3648 -4.3648 -2.6791 -2.6791 -1.9603 -1.9603 0.5681 0.5681 0.9094 0.9094 1.8635 1.8635 2.6648 2.6648 2.9758 2.9758 3.1171 3.1171 3.8016 3.8016 3.9138 3.9138 4.1715 4.1715 4.3616 4.3616 6.1481 6.1481 6.8991 6.8991 8.0317 8.0317 8.3081 8.3081 9.3858 9.3858 9.8199 9.8199 k = 0.0000 0.1143-0.0000 ( 5113 PWs) bands (ev): -15.6465 -15.6465 -12.7743 -12.7743 -9.6329 -9.6329 -8.9950 -8.9950 -6.4192 -6.4192 -4.3100 -4.3100 -2.7384 -2.7384 -1.9822 -1.9822 0.5782 0.5782 0.9400 0.9400 1.8743 1.8743 2.6804 2.6804 2.9396 2.9396 3.0709 3.0709 3.7955 3.7955 3.9275 3.9275 4.1913 4.1913 4.3557 4.3557 6.1856 6.1856 6.8988 6.8988 8.0062 8.0062 8.2883 8.2883 9.4149 9.4149 9.8454 9.8454 k = 0.0000 0.1029-0.0000 ( 5113 PWs) bands (ev): -15.6659 -15.6659 -12.7485 -12.7485 -9.6358 -9.6358 -8.9947 -8.9947 -6.4067 -6.4067 -4.2590 -4.2590 -2.7936 -2.7936 -2.0019 -2.0019 0.5893 0.5893 0.9694 0.9694 1.8748 1.8748 2.6921 2.6921 2.9112 2.9112 3.0295 3.0295 3.7902 3.7902 3.9390 3.9390 4.2118 4.2118 4.3521 4.3521 6.2236 6.2236 6.8983 6.8983 7.9797 7.9797 8.2701 8.2701 9.4414 9.4414 9.8699 9.8699 k = 0.0000 0.0915-0.0000 ( 5121 PWs) bands (ev): -15.6833 -15.6833 -12.7253 -12.7253 -9.6381 -9.6381 -8.9944 -8.9944 -6.3945 -6.3945 -4.2122 -4.2122 -2.8444 -2.8444 -2.0196 -2.0196 0.6014 0.6014 0.9971 0.9971 1.8658 1.8658 2.7003 2.7003 2.8899 2.8899 2.9942 2.9942 3.7856 3.7856 3.9484 3.9484 4.2324 4.2324 4.3501 4.3501 6.2614 6.2614 6.8978 6.8978 7.9526 7.9526 8.2540 8.2540 9.4651 9.4651 9.8929 9.8929 k = 0.0000 0.0800-0.0000 ( 5133 PWs) bands (ev): -15.6986 -15.6986 -12.7049 -12.7049 -9.6399 -9.6399 -8.9943 -8.9943 -6.3828 -6.3828 -4.1700 -4.1700 -2.8904 -2.8904 -2.0352 -2.0352 0.6141 0.6141 1.0228 1.0228 1.8488 1.8488 2.7057 2.7057 2.8735 2.8735 2.9663 2.9663 3.7817 3.7817 3.9561 3.9561 4.2524 4.2524 4.3494 4.3494 6.2982 6.2982 6.8971 6.8971 7.9255 7.9255 8.2399 8.2399 9.4860 9.4860 9.9143 9.9143 k = 0.0000 0.0686-0.0000 ( 5133 PWs) bands (ev): -15.7120 -15.7120 -12.6871 -12.6871 -9.6413 -9.6413 -8.9942 -8.9942 -6.3719 -6.3719 -4.1326 -4.1326 -2.9312 -2.9312 -2.0487 -2.0487 0.6272 0.6272 1.0464 1.0464 1.8260 1.8260 2.7089 2.7089 2.8595 2.8595 2.9466 2.9466 3.7783 3.7783 3.9622 3.9622 4.2711 4.2711 4.3495 4.3495 6.3329 6.3329 6.8961 6.8961 7.8994 7.8994 8.2279 8.2279 9.5042 9.5042 9.9338 9.9338 k = 0.0000 0.0572-0.0000 ( 5131 PWs) bands (ev): -15.7233 -15.7233 -12.6722 -12.6722 -9.6424 -9.6424 -8.9942 -8.9942 -6.3622 -6.3622 -4.1005 -4.1005 -2.9664 -2.9664 -2.0601 -2.0601 0.6400 0.6400 1.0675 1.0675 1.7999 1.7999 2.7104 2.7104 2.8468 2.8468 2.9348 2.9348 3.7755 3.7755 3.9670 3.9670 4.2883 4.2883 4.3500 4.3500 6.3648 6.3648 6.8950 6.8950 7.8750 7.8750 8.2179 8.2179 9.5195 9.5195 9.9510 9.9510 k = 0.0000 0.0457-0.0000 ( 5135 PWs) bands (ev): -15.7325 -15.7325 -12.6599 -12.6599 -9.6432 -9.6432 -8.9942 -8.9942 -6.3538 -6.3538 -4.0738 -4.0738 -2.9957 -2.9957 -2.0694 -2.0694 0.6519 0.6519 1.0859 1.0859 1.7734 1.7734 2.7106 2.7106 2.8358 2.8358 2.9287 2.9287 3.7732 3.7732 3.9707 3.9707 4.3034 4.3034 4.3505 4.3505 6.3927 6.3927 6.8938 6.8938 7.8533 7.8533 8.2099 8.2099 9.5320 9.5320 9.9657 9.9657 k = 0.0000 0.0343-0.0000 ( 5135 PWs) bands (ev): -15.7397 -15.7397 -12.6504 -12.6504 -9.6438 -9.6438 -8.9942 -8.9942 -6.3471 -6.3471 -4.0529 -4.0529 -3.0188 -3.0188 -2.0766 -2.0766 0.6622 0.6622 1.1011 1.1011 1.7492 1.7492 2.7098 2.7098 2.8274 2.8274 2.9261 2.9261 3.7715 3.7715 3.9734 3.9734 4.3161 4.3161 4.3506 4.3506 6.4158 6.4158 6.8925 6.8925 7.8353 7.8353 8.2038 8.2038 9.5417 9.5417 9.9774 9.9774 k = 0.0000 0.0229-0.0000 ( 5137 PWs) bands (ev): -15.7449 -15.7449 -12.6436 -12.6436 -9.6442 -9.6442 -8.9943 -8.9943 -6.3421 -6.3421 -4.0377 -4.0377 -3.0355 -3.0355 -2.0818 -2.0818 0.6702 0.6702 1.1125 1.1125 1.7297 1.7297 2.7085 2.7085 2.8218 2.8218 2.9252 2.9252 3.7702 3.7702 3.9753 3.9753 4.3262 4.3262 4.3500 4.3500 6.4331 6.4331 6.8915 6.8915 7.8218 7.8218 8.1996 8.1996 9.5487 9.5487 9.9861 9.9861 k = 0.0000 0.0114-0.0000 ( 5135 PWs) bands (ev): -15.7480 -15.7480 -12.6395 -12.6395 -9.6444 -9.6444 -8.9943 -8.9943 -6.3391 -6.3391 -4.0286 -4.0286 -3.0455 -3.0455 -2.0849 -2.0849 0.6753 0.6753 1.1197 1.1197 1.7171 1.7171 2.7073 2.7073 2.8187 2.8187 2.9251 2.9251 3.7695 3.7695 3.9764 3.9764 4.3334 4.3334 4.3487 4.3487 6.4439 6.4439 6.8907 6.8907 7.8134 7.8134 8.1970 8.1970 9.5528 9.5528 9.9913 9.9913 k = 0.0000 0.0000 0.0000 ( 5131 PWs) bands (ev): -15.7490 -15.7490 -12.6381 -12.6381 -9.6445 -9.6445 -8.9943 -8.9943 -6.3380 -6.3380 -4.0256 -4.0256 -3.0489 -3.0489 -2.0860 -2.0860 0.6770 0.6770 1.1222 1.1222 1.7127 1.7127 2.7068 2.7068 2.8177 2.8177 2.9251 2.9251 3.7692 3.7692 3.9768 3.9768 4.3363 4.3363 4.3478 4.3478 6.4475 6.4475 6.8905 6.8905 7.8105 7.8105 8.1962 8.1962 9.5542 9.5542 9.9931 9.9931 k = 0.0000 0.0000 0.0000 ( 5131 PWs) bands (ev): -15.7490 -15.7490 -12.6381 -12.6381 -9.6445 -9.6445 -8.9943 -8.9943 -6.3380 -6.3380 -4.0256 -4.0256 -3.0489 -3.0489 -2.0860 -2.0860 0.6770 0.6770 1.1222 1.1222 1.7127 1.7127 2.7068 2.7068 2.8177 2.8177 2.9251 2.9251 3.7692 3.7692 3.9768 3.9768 4.3363 4.3363 4.3478 4.3478 6.4475 6.4475 6.8905 6.8905 7.8105 7.8105 8.1962 8.1962 9.5542 9.5542 9.9931 9.9931 k = 0.0000 0.0000 0.0110 ( 5137 PWs) bands (ev): -15.7490 -15.7490 -12.6381 -12.6381 -9.6451 -9.6451 -8.9932 -8.9932 -6.3391 -6.3391 -4.0247 -4.0247 -3.0489 -3.0489 -2.0860 -2.0860 0.6769 0.6769 1.1221 1.1221 1.7127 1.7127 2.6909 2.6909 2.8320 2.8320 2.9271 2.9271 3.7676 3.7676 3.9787 3.9787 4.3193 4.3193 4.3652 4.3652 6.4448 6.4448 6.8922 6.8922 7.8091 7.8091 8.1946 8.1946 9.5555 9.5555 9.9943 9.9943 k = 0.0000 0.0000 0.0220 ( 5135 PWs) bands (ev): -15.7490 -15.7490 -12.6381 -12.6381 -9.6471 -9.6471 -8.9900 -8.9900 -6.3422 -6.3422 -4.0221 -4.0221 -3.0489 -3.0489 -2.0859 -2.0859 0.6768 0.6768 1.1220 1.1220 1.7127 1.7127 2.6567 2.6567 2.8596 2.8596 2.9351 2.9351 3.7630 3.7630 3.9844 3.9844 4.2983 4.2983 4.3877 4.3877 6.4367 6.4367 6.8973 6.8973 7.8047 7.8047 8.1901 8.1901 9.5593 9.5593 9.9978 9.9978 k = 0.0000 0.0000 0.0330 ( 5129 PWs) bands (ev): -15.7490 -15.7490 -12.6381 -12.6381 -9.6502 -9.6502 -8.9847 -8.9847 -6.3473 -6.3473 -4.0178 -4.0178 -3.0489 -3.0489 -2.0859 -2.0859 0.6766 0.6766 1.1217 1.1217 1.7127 1.7127 2.6170 2.6170 2.8819 2.8819 2.9544 2.9544 3.7560 3.7560 3.9932 3.9932 4.2777 4.2777 4.4105 4.4105 6.4238 6.4238 6.9053 6.9053 7.7977 7.7977 8.1827 8.1827 9.5655 9.5655 10.0035 10.0035 k = 0.0000 0.0000 0.0439 ( 5129 PWs) bands (ev): -15.7490 -15.7490 -12.6381 -12.6381 -9.6544 -9.6544 -8.9776 -8.9776 -6.3543 -6.3543 -4.0121 -4.0121 -3.0489 -3.0489 -2.0859 -2.0859 0.6762 0.6762 1.1214 1.1214 1.7126 1.7126 2.5761 2.5761 2.8934 2.8934 2.9868 2.9868 3.7471 3.7471 4.0044 4.0044 4.2579 4.2579 4.4334 4.4334 6.4068 6.4068 6.9155 6.9155 7.7881 7.7881 8.1728 8.1728 9.5739 9.5739 10.0112 10.0112 k = 0.0000 0.0000 0.0549 ( 5119 PWs) bands (ev): -15.7490 -15.7490 -12.6381 -12.6381 -9.6595 -9.6595 -8.9690 -8.9690 -6.3629 -6.3629 -4.0050 -4.0050 -3.0489 -3.0489 -2.0859 -2.0859 0.6758 0.6758 1.1210 1.1210 1.7126 1.7126 2.5355 2.5355 2.8984 2.8984 3.0259 3.0259 3.7371 3.7371 4.0172 4.0172 4.2390 4.2390 4.4563 4.4563 6.3866 6.3866 6.9274 6.9274 7.7762 7.7762 8.1606 8.1606 9.5841 9.5841 10.0207 10.0207 k = 0.0000 0.0000 0.0659 ( 5115 PWs) bands (ev): -15.7489 -15.7489 -12.6381 -12.6381 -9.6653 -9.6653 -8.9589 -8.9589 -6.3729 -6.3729 -3.9968 -3.9968 -3.0488 -3.0488 -2.0858 -2.0858 0.6753 0.6753 1.1205 1.1205 1.7126 1.7126 2.4959 2.4959 2.9010 2.9010 3.0671 3.0671 3.7265 3.7265 4.0311 4.0311 4.2212 4.2212 4.4788 4.4788 6.3640 6.3640 6.9402 6.9402 7.7624 7.7624 8.1467 8.1467 9.5957 9.5957 10.0317 10.0317 k = 0.0000 0.0000 0.0769 ( 5115 PWs) bands (ev): -15.7489 -15.7489 -12.6381 -12.6381 -9.6717 -9.6717 -8.9479 -8.9479 -6.3841 -6.3841 -3.9876 -3.9876 -3.0488 -3.0488 -2.0858 -2.0858 0.6748 0.6748 1.1200 1.1200 1.7125 1.7125 2.4579 2.4579 2.9024 2.9024 3.1085 3.1085 3.7157 3.7157 4.0455 4.0455 4.2046 4.2046 4.5007 4.5007 6.3398 6.3398 6.9536 6.9536 7.7471 7.7471 8.1313 8.1313 9.6085 9.6085 10.0438 10.0438 k = 0.0000 0.0000 0.0879 ( 5123 PWs) bands (ev): -15.7489 -15.7489 -12.6381 -12.6381 -9.6783 -9.6783 -8.9362 -8.9362 -6.3960 -6.3960 -3.9779 -3.9779 -3.0488 -3.0488 -2.0857 -2.0857 0.6742 0.6742 1.1194 1.1194 1.7125 1.7125 2.4218 2.4218 2.9032 2.9032 3.1489 3.1489 3.7050 3.7050 4.0597 4.0597 4.1893 4.1893 4.5220 4.5220 6.3146 6.3146 6.9670 6.9670 7.7306 7.7306 8.1151 8.1151 9.6219 9.6219 10.0567 10.0567 k = 0.0000 0.0000 0.0989 ( 5123 PWs) bands (ev): -15.7489 -15.7489 -12.6381 -12.6381 -9.6850 -9.6850 -8.9241 -8.9241 -6.4084 -6.4084 -3.9678 -3.9678 -3.0487 -3.0487 -2.0857 -2.0857 0.6736 0.6736 1.1188 1.1188 1.7124 1.7124 2.3880 2.3880 2.9038 2.9038 3.1877 3.1877 3.6947 3.6947 4.0734 4.0734 4.1757 4.1757 4.5424 4.5424 6.2893 6.2893 6.9801 6.9801 7.7135 7.7135 8.0984 8.0984 9.6357 9.6357 10.0701 10.0701 k = 0.0000 0.0000 0.1099 ( 5109 PWs) bands (ev): -15.7489 -15.7489 -12.6381 -12.6381 -9.6916 -9.6916 -8.9120 -8.9120 -6.4210 -6.4210 -3.9576 -3.9576 -3.0487 -3.0487 -2.0856 -2.0856 0.6730 0.6730 1.1182 1.1182 1.7124 1.7124 2.3566 2.3566 2.9043 2.9043 3.2245 3.2245 3.6850 3.6850 4.0857 4.0857 4.1642 4.1642 4.5617 4.5617 6.2643 6.2643 6.9927 6.9927 7.6961 7.6961 8.0817 8.0817 9.6493 9.6493 10.0835 10.0835 k = 0.0000 0.0000 0.1209 ( 5107 PWs) bands (ev): -15.7489 -15.7489 -12.6381 -12.6381 -9.6979 -9.6979 -8.9002 -8.9002 -6.4334 -6.4334 -3.9476 -3.9476 -3.0487 -3.0487 -2.0855 -2.0855 0.6724 0.6724 1.1176 1.1176 1.7123 1.7123 2.3279 2.3279 2.9046 2.9046 3.2587 3.2587 3.6760 3.6760 4.0956 4.0956 4.1555 4.1555 4.5796 4.5796 6.2402 6.2402 7.0044 7.0044 7.6790 7.6790 8.0655 8.0655 9.6625 9.6625 10.0965 10.0965 k = 0.0000 0.0000 0.1318 ( 5101 PWs) bands (ev): -15.7489 -15.7489 -12.6381 -12.6381 -9.7039 -9.7039 -8.8890 -8.8890 -6.4453 -6.4453 -3.9380 -3.9380 -3.0487 -3.0487 -2.0855 -2.0855 0.6718 0.6718 1.1170 1.1170 1.7123 1.7123 2.3021 2.3021 2.9048 2.9048 3.2900 3.2900 3.6678 3.6678 4.1015 4.1015 4.1512 4.1512 4.5960 4.5960 6.2176 6.2176 7.0152 7.0152 7.6625 7.6625 8.0502 8.0502 9.6750 9.6750 10.1090 10.1090 k = 0.0000 0.0000 0.1428 ( 5105 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7093 -9.7093 -8.8786 -8.8786 -6.4563 -6.4563 -3.9292 -3.9292 -3.0486 -3.0486 -2.0854 -2.0854 0.6712 0.6712 1.1164 1.1164 1.7123 1.7123 2.2793 2.2793 2.9050 2.9050 3.3181 3.3181 3.6605 3.6605 4.1026 4.1026 4.1518 4.1518 4.6108 4.6108 6.1969 6.1969 7.0250 7.0250 7.6472 7.6472 8.0361 8.0361 9.6863 9.6863 10.1204 10.1204 k = 0.0000 0.0000 0.1538 ( 5109 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7141 -9.7141 -8.8693 -8.8693 -6.4662 -6.4662 -3.9213 -3.9213 -3.0486 -3.0486 -2.0854 -2.0854 0.6707 0.6707 1.1159 1.1159 1.7123 1.7123 2.2598 2.2598 2.9051 2.9051 3.3425 3.3425 3.6542 3.6542 4.1001 4.1001 4.1561 4.1561 4.6236 4.6236 6.1786 6.1786 7.0334 7.0334 7.6334 7.6334 8.0236 8.0236 9.6964 9.6964 10.1306 10.1306 k = 0.0000 0.0000 0.1648 ( 5108 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7181 -9.7181 -8.8614 -8.8614 -6.4747 -6.4747 -3.9146 -3.9146 -3.0486 -3.0486 -2.0854 -2.0854 0.6703 0.6703 1.1155 1.1155 1.7123 1.7123 2.2437 2.2437 2.9052 2.9052 3.3629 3.3629 3.6490 3.6490 4.0962 4.0962 4.1615 4.1615 4.6343 4.6343 6.1630 6.1630 7.0405 7.0405 7.6216 7.6216 8.0129 8.0129 9.7049 9.7049 10.1393 10.1393 k = 0.0000 0.0000 0.1758 ( 5108 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7213 -9.7213 -8.8551 -8.8551 -6.4816 -6.4816 -3.9092 -3.9092 -3.0486 -3.0486 -2.0853 -2.0853 0.6699 0.6699 1.1152 1.1152 1.7123 1.7123 2.2310 2.2310 2.9053 2.9053 3.3792 3.3792 3.6448 3.6448 4.0925 4.0925 4.1666 4.1666 4.6428 4.6428 6.1505 6.1505 7.0462 7.0462 7.6120 7.6120 8.0044 8.0044 9.7117 9.7117 10.1463 10.1463 k = 0.0000 0.0000 0.1868 ( 5118 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7236 -9.7236 -8.8504 -8.8504 -6.4866 -6.4866 -3.9052 -3.9052 -3.0486 -3.0486 -2.0853 -2.0853 0.6696 0.6696 1.1149 1.1149 1.7122 1.7122 2.2219 2.2219 2.9053 2.9053 3.3910 3.3910 3.6418 3.6418 4.0895 4.0895 4.1706 4.1706 4.6490 4.6490 6.1414 6.1414 7.0503 7.0503 7.6049 7.6049 7.9981 7.9981 9.7167 9.7167 10.1514 10.1514 k = 0.0000 0.0000 0.1978 ( 5122 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7250 -9.7250 -8.8476 -8.8476 -6.4897 -6.4897 -3.9028 -3.9028 -3.0486 -3.0486 -2.0853 -2.0853 0.6695 0.6695 1.1147 1.1147 1.7122 1.7122 2.2164 2.2164 2.9054 2.9054 3.3981 3.3981 3.6400 3.6400 4.0876 4.0876 4.1732 4.1732 4.6527 4.6527 6.1359 6.1359 7.0528 7.0528 7.6006 7.6006 7.9943 7.9943 9.7197 9.7197 10.1546 10.1546 k = 0.0000 0.0000 0.2088 ( 5128 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7255 -9.7255 -8.8467 -8.8467 -6.4907 -6.4907 -3.9020 -3.9020 -3.0485 -3.0485 -2.0853 -2.0853 0.6694 0.6694 1.1147 1.1147 1.7122 1.7122 2.2145 2.2145 2.9054 2.9054 3.4005 3.4005 3.6394 3.6394 4.0870 4.0870 4.1740 4.1740 4.6539 4.6539 6.1340 6.1340 7.0536 7.0536 7.5991 7.5991 7.9931 7.9931 9.7207 9.7207 10.1556 10.1556 k = 0.0000 0.0000 0.2088 ( 5128 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7255 -9.7255 -8.8467 -8.8467 -6.4907 -6.4907 -3.9020 -3.9020 -3.0485 -3.0485 -2.0853 -2.0853 0.6694 0.6694 1.1147 1.1147 1.7122 1.7122 2.2145 2.2145 2.9054 2.9054 3.4005 3.4005 3.6394 3.6394 4.0870 4.0870 4.1740 4.1740 4.6539 4.6539 6.1340 6.1340 7.0536 7.0536 7.5991 7.5991 7.9931 7.9931 9.7207 9.7207 10.1556 10.1556 k = 0.0114-0.0000 0.2088 ( 5118 PWs) bands (ev): -15.7478 -15.7478 -12.6387 -12.6387 -9.7246 -9.7246 -8.8459 -8.8459 -6.4921 -6.4921 -3.9053 -3.9053 -3.0476 -3.0476 -2.0859 -2.0859 0.6680 0.6680 1.1117 1.1117 1.7098 1.7098 2.2165 2.2165 2.9073 2.9073 3.4001 3.4001 3.6415 3.6415 4.0863 4.0863 4.1654 4.1654 4.6533 4.6533 6.1463 6.1463 7.0578 7.0578 7.5996 7.5996 7.9936 7.9936 9.7187 9.7187 10.1531 10.1531 k = 0.0227-0.0000 0.2088 ( 5116 PWs) bands (ev): -15.7448 -15.7448 -12.6404 -12.6404 -9.7219 -9.7219 -8.8438 -8.8438 -6.4964 -6.4964 -3.9152 -3.9152 -3.0446 -3.0446 -2.0877 -2.0877 0.6636 0.6636 1.1030 1.1030 1.7021 1.7021 2.2223 2.2223 2.9132 2.9132 3.3988 3.3988 3.6475 3.6475 4.0824 4.0824 4.1426 4.1426 4.6518 4.6518 6.1822 6.1822 7.0699 7.0699 7.6011 7.6011 7.9955 7.9955 9.7125 9.7125 10.1456 10.1456 k = 0.0341-0.0000 0.2088 ( 5116 PWs) bands (ev): -15.7398 -15.7398 -12.6432 -12.6432 -9.7175 -9.7175 -8.8402 -8.8402 -6.5035 -6.5035 -3.9317 -3.9317 -3.0397 -3.0397 -2.0907 -2.0907 0.6564 0.6564 1.0889 1.0889 1.6888 1.6888 2.2316 2.2316 2.9231 2.9231 3.3967 3.3967 3.6565 3.6565 4.0649 4.0649 4.1193 4.1193 4.6505 4.6505 6.2385 6.2385 7.0895 7.0895 7.6038 7.6038 7.9990 7.9990 9.7023 9.7023 10.1334 10.1334 k = 0.0455-0.0000 0.2088 ( 5124 PWs) bands (ev): -15.7329 -15.7329 -12.6471 -12.6471 -9.7112 -9.7112 -8.8353 -8.8353 -6.5133 -6.5133 -3.9547 -3.9547 -3.0328 -3.0328 -2.0947 -2.0947 0.6463 0.6463 1.0700 1.0700 1.6691 1.6691 2.2439 2.2439 2.9372 2.9372 3.3935 3.3935 3.6659 3.6659 4.0237 4.0237 4.1115 4.1115 4.6502 4.6502 6.3109 6.3109 7.1154 7.1154 7.6078 7.6078 8.0048 8.0048 9.6881 9.6881 10.1170 10.1170 k = 0.0568-0.0000 0.2088 ( 5120 PWs) bands (ev): -15.7239 -15.7239 -12.6522 -12.6522 -9.7032 -9.7032 -8.8289 -8.8289 -6.5258 -6.5258 -3.9840 -3.9840 -3.0239 -3.0239 -2.0994 -2.0994 0.6334 0.6334 1.0472 1.0472 1.6424 1.6424 2.2582 2.2582 2.9554 2.9554 3.3896 3.3896 3.6698 3.6698 3.9759 3.9759 4.1123 4.1123 4.6515 4.6515 6.3950 6.3950 7.1465 7.1465 7.6134 7.6134 8.0137 8.0137 9.6700 9.6700 10.0970 10.0970 k = 0.0682-0.0000 0.2088 ( 5112 PWs) bands (ev): -15.7130 -15.7130 -12.6585 -12.6585 -9.6933 -9.6933 -8.8212 -8.8212 -6.5409 -6.5409 -4.0196 -4.0196 -3.0130 -3.0130 -2.1047 -2.1047 0.6179 0.6179 1.0212 1.0212 1.6081 1.6081 2.2732 2.2732 2.9775 2.9775 3.3850 3.3850 3.6575 3.6575 3.9419 3.9419 4.1162 4.1162 4.6547 4.6547 6.4863 6.4863 7.1811 7.1811 7.6211 7.6211 8.0268 8.0268 9.6484 9.6484 10.0740 10.0740 k = 0.0795-0.0000 0.2088 ( 5112 PWs) bands (ev): -15.7000 -15.7000 -12.6661 -12.6661 -9.6816 -9.6816 -8.8121 -8.8121 -6.5583 -6.5583 -4.0613 -4.0613 -3.0002 -3.0002 -2.1103 -2.1103 0.5997 0.5997 0.9926 0.9926 1.5659 1.5659 2.2873 2.2873 3.0028 3.0028 3.3803 3.3803 3.6213 3.6213 3.9353 3.9353 4.1220 4.1220 4.6596 4.6596 6.5806 6.5806 7.2181 7.2181 7.6310 7.6310 8.0450 8.0450 9.6236 9.6236 10.0488 10.0488 k = 0.0909-0.0000 0.2088 ( 5104 PWs) bands (ev): -15.6852 -15.6852 -12.6749 -12.6749 -9.6681 -9.6681 -8.8016 -8.8016 -6.5781 -6.5781 -4.1089 -4.1089 -2.9855 -2.9855 -2.1159 -2.1159 0.5791 0.5791 0.9622 0.9622 1.5157 1.5157 2.2984 2.2984 3.0293 3.0293 3.3757 3.3757 3.5682 3.5682 3.9546 3.9546 4.1293 4.1293 4.6661 4.6661 6.6742 6.6742 7.2565 7.2565 7.6435 7.6435 8.0694 8.0694 9.5963 9.5963 10.0220 10.0220 k = 0.1023-0.0000 0.2088 ( 5104 PWs) bands (ev): -15.6684 -15.6684 -12.6851 -12.6851 -9.6527 -9.6527 -8.7899 -8.7899 -6.6000 -6.6000 -4.1621 -4.1621 -2.9687 -2.9687 -2.1213 -2.1213 0.5562 0.5562 0.9304 0.9304 1.4579 1.4579 2.3040 2.3040 3.0529 3.0529 3.3718 3.3718 3.5146 3.5146 3.9903 3.9903 4.1381 4.1381 4.6740 4.6740 6.7632 6.7632 7.2961 7.2961 7.6584 7.6584 8.1006 8.1006 9.5674 9.5674 9.9941 9.9941 k = 0.1136-0.0000 0.2088 ( 5108 PWs) bands (ev): -15.6496 -15.6496 -12.6967 -12.6967 -9.6355 -9.6355 -8.7768 -8.7768 -6.6239 -6.6239 -4.2208 -4.2208 -2.9501 -2.9501 -2.1261 -2.1261 0.5312 0.5312 0.8976 0.8976 1.3929 1.3929 2.3015 2.3015 3.0670 3.0670 3.3686 3.3686 3.4770 3.4770 4.0352 4.0352 4.1485 4.1485 4.6833 4.6833 6.8444 6.8444 7.3373 7.3373 7.6754 7.6754 8.1391 8.1391 9.5380 9.5380 9.9657 9.9657 k = 0.1250-0.0000 0.2088 ( 5108 PWs) bands (ev): -15.6289 -15.6289 -12.7097 -12.7097 -9.6164 -9.6164 -8.7626 -8.7626 -6.6495 -6.6495 -4.2846 -4.2846 -2.9295 -2.9295 -2.1302 -2.1302 0.5041 0.5041 0.8642 0.8642 1.3215 1.3215 2.2878 2.2878 3.0653 3.0653 3.3656 3.3656 3.4691 3.4691 4.0846 4.0846 4.1610 4.1610 4.6938 4.6938 6.9150 6.9150 7.3807 7.3807 7.6943 7.6943 8.1846 8.1846 9.5093 9.5093 9.9371 9.9371 k = 0.1364-0.0000 0.2088 ( 5098 PWs) bands (ev): -15.6064 -15.6064 -12.7243 -12.7243 -9.5955 -9.5955 -8.7471 -8.7471 -6.6767 -6.6767 -4.3532 -4.3532 -2.9070 -2.9070 -2.1332 -2.1332 0.4751 0.4751 0.8305 0.8305 1.2444 1.2444 2.2604 2.2604 3.0488 3.0488 3.3626 3.3626 3.4944 3.4944 4.1334 4.1334 4.1780 4.1780 4.7055 4.7055 6.9737 6.9737 7.4263 7.4263 7.7146 7.7146 8.2362 8.2362 9.4827 9.4827 9.9090 9.9090 k = 0.1477-0.0000 0.2088 ( 5090 PWs) bands (ev): -15.5819 -15.5819 -12.7404 -12.7404 -9.5726 -9.5726 -8.7304 -8.7304 -6.7052 -6.7052 -4.4264 -4.4264 -2.8826 -2.8826 -2.1350 -2.1350 0.4442 0.4442 0.7965 0.7965 1.1624 1.1624 2.2177 2.2177 3.0264 3.0264 3.3605 3.3605 3.5458 3.5458 4.1698 4.1698 4.2093 4.2093 4.7181 4.7181 7.0209 7.0209 7.4732 7.4732 7.7358 7.7358 8.2928 8.2928 9.4594 9.4594 9.8817 9.8817 k = 0.1591-0.0000 0.2088 ( 5090 PWs) bands (ev): -15.5556 -15.5556 -12.7582 -12.7582 -9.5479 -9.5479 -8.7127 -8.7127 -6.7348 -6.7348 -4.5038 -4.5038 -2.8563 -2.8563 -2.1354 -2.1354 0.4115 0.4115 0.7624 0.7624 1.0764 1.0764 2.1596 2.1596 3.0064 3.0064 3.3598 3.3598 3.6145 3.6145 4.1910 4.1910 4.2563 4.2563 4.7317 4.7317 7.0588 7.0588 7.5190 7.5190 7.7574 7.7574 8.3530 8.3530 9.4406 9.4406 9.8559 9.8559 k = 0.1705-0.0000 0.2088 ( 5098 PWs) bands (ev): -15.5274 -15.5274 -12.7777 -12.7777 -9.5212 -9.5212 -8.6939 -8.6939 -6.7653 -6.7653 -4.5851 -4.5851 -2.8282 -2.8282 -2.1343 -2.1343 0.3769 0.3769 0.7283 0.7283 0.9876 0.9876 2.0878 2.0878 2.9931 2.9931 3.3604 3.3604 3.6948 3.6948 4.2089 4.2089 4.3058 4.3058 4.7460 4.7460 7.0899 7.0899 7.5619 7.5619 7.7786 7.7786 8.4154 8.4154 9.4267 9.4267 9.8325 9.8325 k = 0.1818-0.0000 0.2088 ( 5098 PWs) bands (ev): -15.4974 -15.4974 -12.7989 -12.7989 -9.4926 -9.4926 -8.6741 -8.6741 -6.7965 -6.7965 -4.6701 -4.6701 -2.7983 -2.7983 -2.1314 -2.1314 0.3403 0.3403 0.6937 0.6937 0.8969 0.8969 2.0049 2.0049 2.9874 2.9874 3.3623 3.3623 3.7829 3.7829 4.2268 4.2268 4.3534 4.3534 4.7610 4.7610 7.1168 7.1168 7.6007 7.6007 7.7983 7.7983 8.4785 8.4785 9.4173 9.4173 9.8128 9.8128 k = 0.1932-0.0000 0.2088 ( 5102 PWs) bands (ev): -15.4656 -15.4656 -12.8220 -12.8220 -9.4621 -9.4621 -8.6533 -8.6533 -6.8282 -6.8282 -4.7582 -4.7582 -2.7666 -2.7666 -2.1267 -2.1267 0.3015 0.3015 0.6580 0.6580 0.8062 0.8062 1.9139 1.9139 2.9884 2.9884 3.3654 3.3654 3.8761 3.8761 4.2456 4.2456 4.3976 4.3976 4.7765 4.7765 7.1413 7.1413 7.6355 7.6355 7.8157 7.8157 8.5412 8.5412 9.4111 9.4111 9.7984 9.7984 k = 0.2045-0.0000 0.2088 ( 5102 PWs) bands (ev): -15.4321 -15.4321 -12.8469 -12.8469 -9.4296 -9.4296 -8.6317 -8.6317 -6.8602 -6.8602 -4.8493 -4.8493 -2.7331 -2.7331 -2.1201 -2.1201 0.2604 0.2604 0.6178 0.6178 0.7195 0.7195 1.8175 1.8175 2.9950 2.9950 3.3697 3.3697 3.9722 3.9722 4.2654 4.2654 4.4378 4.4378 4.7922 4.7922 7.1646 7.1646 7.6672 7.6672 7.8299 7.8299 8.6021 8.6021 9.4059 9.4059 9.7914 9.7914 k = 0.2159-0.0000 0.2088 ( 5102 PWs) bands (ev): -15.3968 -15.3968 -12.8737 -12.8737 -9.3951 -9.3951 -8.6093 -8.6093 -6.8922 -6.8922 -4.9429 -4.9429 -2.6979 -2.6979 -2.1115 -2.1115 0.2168 0.2168 0.5629 0.5629 0.6478 0.6478 1.7179 1.7179 3.0061 3.0061 3.3753 3.3753 4.0689 4.0689 4.2866 4.2866 4.4737 4.4737 4.8080 4.8080 7.1867 7.1867 7.6975 7.6975 7.8413 7.8413 8.6601 8.6601 9.3991 9.3991 9.7936 9.7936 k = 0.2273-0.0000 0.2088 ( 5096 PWs) bands (ev): -15.3598 -15.3598 -12.9024 -12.9024 -9.3588 -9.3588 -8.5862 -8.5862 -6.9241 -6.9241 -5.0388 -5.0388 -2.6610 -2.6610 -2.1010 -2.1010 0.1705 0.1705 0.4856 0.4856 0.5997 0.5997 1.6169 1.6169 3.0206 3.0206 3.3821 3.3821 4.1636 4.1636 4.3100 4.3100 4.5055 4.5055 4.8236 4.8236 7.2075 7.2075 7.7283 7.7283 7.8504 7.8504 8.7141 8.7141 9.3885 9.3885 9.8060 9.8060 k = 0.2386-0.0000 0.2088 ( 5100 PWs) bands (ev): -15.3211 -15.3211 -12.9332 -12.9332 -9.3205 -9.3205 -8.5624 -8.5624 -6.9557 -6.9557 -5.1366 -5.1366 -2.6225 -2.6225 -2.0885 -2.0885 0.1212 0.1212 0.3972 0.3972 0.5645 0.5645 1.5157 1.5157 3.0378 3.0378 3.3901 3.3901 4.2507 4.2507 4.3388 4.3388 4.5340 4.5340 4.8388 4.8388 7.2260 7.2260 7.7617 7.7617 7.8585 7.8585 8.7628 8.7628 9.3733 9.3733 9.8281 9.8281 k = 0.2500-0.0000 0.2088 ( 5096 PWs) bands (ev): -15.2808 -15.2808 -12.9658 -12.9658 -9.2802 -9.2802 -8.5381 -8.5381 -6.9867 -6.9867 -5.2361 -5.2361 -2.5824 -2.5824 -2.0739 -2.0739 0.0686 0.0686 0.3065 0.3065 0.5341 0.5341 1.4153 1.4153 3.0572 3.0572 3.3993 3.3993 4.3151 4.3151 4.3853 4.3853 4.5606 4.5606 4.8536 4.8536 7.2416 7.2416 7.7996 7.7996 7.8667 7.8667 8.8054 8.8054 9.3538 9.3538 9.8582 9.8582 k = 0.2614-0.0000 0.2088 ( 5096 PWs) bands (ev): -15.2389 -15.2389 -13.0005 -13.0005 -9.2381 -9.2381 -8.5133 -8.5133 -7.0172 -7.0172 -5.3368 -5.3368 -2.5407 -2.5407 -2.0574 -2.0574 0.0122 0.0122 0.2167 0.2167 0.5062 0.5062 1.3167 1.3167 3.0783 3.0783 3.4098 3.4098 4.3509 4.3509 4.4503 4.4503 4.5889 4.5889 4.8681 4.8681 7.2538 7.2538 7.8429 7.8429 7.8767 7.8767 8.8409 8.8409 9.3314 9.3314 9.8940 9.8940 k = 0.2727-0.0000 0.2088 ( 5096 PWs) bands (ev): -15.1954 -15.1954 -13.0372 -13.0372 -9.1941 -9.1941 -8.4882 -8.4882 -7.0468 -7.0468 -5.4386 -5.4386 -2.4975 -2.4975 -2.0389 -2.0389 -0.0485 -0.0485 0.1295 0.1295 0.4800 0.4800 1.2204 1.2204 3.1009 3.1009 3.4214 3.4214 4.3759 4.3759 4.5079 4.5079 4.6256 4.6256 4.8826 4.8826 7.2632 7.2632 7.8798 7.8798 7.9016 7.9016 8.8685 8.8685 9.3075 9.3075 9.9332 9.9332 k = 0.2841-0.0000 0.2088 ( 5102 PWs) bands (ev): -15.1504 -15.1504 -13.0758 -13.0758 -9.1483 -9.1483 -8.4628 -8.4628 -7.0756 -7.0756 -5.5410 -5.5410 -2.4528 -2.4528 -2.0185 -2.0185 -0.1140 -0.1140 0.0462 0.0462 0.4549 0.4549 1.1269 1.1269 3.1247 3.1247 3.4342 3.4342 4.3971 4.3971 4.5458 4.5458 4.6744 4.6744 4.8976 4.8976 7.2708 7.2708 7.8944 7.8944 7.9575 7.9575 8.8879 8.8879 9.2834 9.2834 9.9736 9.9736 k = 0.2955-0.0000 0.2088 ( 5110 PWs) bands (ev): -15.1040 -15.1040 -13.1163 -13.1163 -9.1008 -9.1008 -8.4374 -8.4374 -7.1033 -7.1033 -5.6439 -5.6439 -2.4068 -2.4068 -1.9962 -1.9962 -0.1844 -0.1844 -0.0325 -0.0325 0.4307 0.4307 1.0367 1.0367 3.1495 3.1495 3.4482 3.4482 4.4152 4.4152 4.5693 4.5693 4.7274 4.7274 4.9139 4.9139 7.2786 7.2786 7.9079 7.9079 8.0224 8.0224 8.8988 8.8988 9.2603 9.2603 10.0135 10.0135 k = 0.3068-0.0000 0.2088 ( 5112 PWs) bands (ev): -15.0562 -15.0562 -13.1587 -13.1587 -9.0515 -9.0515 -8.4119 -8.4119 -7.1298 -7.1298 -5.7469 -5.7469 -2.3595 -2.3595 -1.9720 -1.9720 -0.2591 -0.2591 -0.1070 -0.1070 0.4074 0.4074 0.9502 0.9502 3.1752 3.1752 3.4631 3.4631 4.4299 4.4299 4.5871 4.5871 4.7748 4.7748 4.9325 4.9325 7.2885 7.2885 7.9224 7.9224 8.0928 8.0928 8.9019 8.9019 9.2388 9.2388 10.0513 10.0513 k = 0.3182-0.0000 0.2088 ( 5108 PWs) bands (ev): -15.0069 -15.0069 -13.2030 -13.2030 -9.0007 -9.0007 -8.3866 -8.3866 -7.1550 -7.1550 -5.8497 -5.8497 -2.3110 -2.3110 -1.9459 -1.9459 -0.3368 -0.3368 -0.1779 -0.1779 0.3849 0.3849 0.8676 0.8676 3.2017 3.2017 3.4790 3.4790 4.4406 4.4406 4.6037 4.6037 4.8115 4.8115 4.9536 4.9536 7.3022 7.3022 7.9381 7.9381 8.1664 8.1664 8.8987 8.8987 9.2190 9.2190 10.0858 10.0858 k = 0.3295-0.0000 0.2088 ( 5104 PWs) bands (ev): -14.9564 -14.9564 -13.2491 -13.2491 -8.9484 -8.9484 -8.3616 -8.3616 -7.1788 -7.1788 -5.9521 -5.9521 -2.2613 -2.2613 -1.9181 -1.9181 -0.4159 -0.4159 -0.2466 -0.2466 0.3630 0.3630 0.7891 0.7891 3.2287 3.2287 3.4957 3.4957 4.4469 4.4469 4.6214 4.6214 4.8366 4.8366 4.9759 4.9759 7.3212 7.3212 7.9549 7.9549 8.2407 8.2407 8.8915 8.8915 9.2005 9.2005 10.1161 10.1161 k = 0.3409-0.0000 0.2088 ( 5104 PWs) bands (ev): -14.9047 -14.9047 -13.2969 -13.2969 -8.8947 -8.8947 -8.3372 -8.3372 -7.2010 -7.2010 -6.0538 -6.0538 -2.2106 -2.2106 -1.8885 -1.8885 -0.4953 -0.4953 -0.3138 -0.3138 0.3418 0.3418 0.7151 0.7151 3.2563 3.2563 3.5130 3.5130 4.4492 4.4492 4.6410 4.6410 4.8520 4.8520 4.9967 4.9967 7.3463 7.3463 7.9728 7.9728 8.3125 8.3125 8.8838 8.8838 9.1829 9.1829 10.1414 10.1414 k = 0.3523-0.0000 0.2088 ( 5098 PWs) bands (ev): -14.8517 -14.8517 -13.3463 -13.3463 -8.8399 -8.8399 -8.3133 -8.3133 -7.2216 -7.2216 -6.1544 -6.1544 -2.1591 -2.1591 -1.8571 -1.8571 -0.5739 -0.5739 -0.3804 -0.3804 0.3212 0.3212 0.6456 0.6456 3.2844 3.2844 3.5306 3.5306 4.4484 4.4484 4.6624 4.6624 4.8599 4.8599 5.0134 5.0134 7.3777 7.3777 7.9917 7.9917 8.3772 8.3772 8.8802 8.8802 9.1657 9.1657 10.1609 10.1609 k = 0.3636-0.0000 0.2088 ( 5102 PWs) bands (ev): -14.7976 -14.7976 -13.3973 -13.3973 -8.7842 -8.7842 -8.2904 -8.2904 -7.2403 -7.2403 -6.2537 -6.2537 -2.1067 -2.1067 -1.8239 -1.8239 -0.6511 -0.6511 -0.4465 -0.4465 0.3014 0.3014 0.5809 0.5809 3.3127 3.3127 3.5482 3.5482 4.4454 4.4454 4.6852 4.6852 4.8616 4.8616 5.0249 5.0249 7.4154 7.4154 8.0114 8.0114 8.4297 8.4297 8.8855 8.8855 9.1495 9.1495 10.1742 10.1742 k = 0.3750-0.0000 0.2088 ( 5106 PWs) bands (ev): -14.7425 -14.7425 -13.4497 -13.4497 -8.7278 -8.7278 -8.2686 -8.2686 -7.2570 -7.2570 -6.3513 -6.3513 -2.0538 -2.0538 -1.7890 -1.7890 -0.7265 -0.7265 -0.5125 -0.5125 0.2824 0.2824 0.5210 0.5210 3.3412 3.3412 3.5654 3.5654 4.4415 4.4415 4.7089 4.7089 4.8579 4.8579 5.0313 5.0313 7.4586 7.4586 8.0317 8.0317 8.4651 8.4651 8.9022 8.9022 9.1366 9.1366 10.1809 10.1809 k = 0.3864-0.0000 0.2088 ( 5106 PWs) bands (ev): -14.6864 -14.6864 -13.5035 -13.5035 -8.6711 -8.6711 -8.2483 -8.2483 -7.2714 -7.2714 -6.4468 -6.4468 -2.0004 -2.0004 -1.7523 -1.7523 -0.7997 -0.7997 -0.5783 -0.5783 0.2643 0.2643 0.4661 0.4661 3.3697 3.3697 3.5820 3.5820 4.4376 4.4376 4.7328 4.7328 4.8489 4.8489 5.0333 5.0333 7.5063 7.5063 8.0521 8.0521 8.4825 8.4825 8.9256 8.9256 9.1331 9.1331 10.1806 10.1806 k = 0.3977-0.0000 0.2088 ( 5098 PWs) bands (ev): -14.6294 -14.6294 -13.5585 -13.5585 -8.6144 -8.6144 -8.2296 -8.2296 -7.2831 -7.2831 -6.5400 -6.5400 -1.9468 -1.9468 -1.7139 -1.7139 -0.8705 -0.8705 -0.6440 -0.6440 0.2474 0.2474 0.4161 0.4161 3.3982 3.3982 3.5973 3.5973 4.4347 4.4347 4.7560 4.7560 4.8352 4.8352 5.0319 5.0319 7.5573 7.5573 8.0719 8.0719 8.4859 8.4859 8.9413 8.9413 9.1501 9.1501 10.1732 10.1732 k = 0.4091-0.0000 0.2088 ( 5094 PWs) bands (ev): -14.5716 -14.5716 -13.6147 -13.6147 -8.5583 -8.5583 -8.2130 -8.2130 -7.2918 -7.2918 -6.6303 -6.6303 -1.8931 -1.8931 -1.6737 -1.6737 -0.9387 -0.9387 -0.7095 -0.7095 0.2318 0.2318 0.3712 0.3712 3.4263 3.4263 3.6109 3.6109 4.4337 4.4337 4.7755 4.7755 4.8199 4.8199 5.0282 5.0282 7.6102 7.6102 8.0900 8.0900 8.4815 8.4815 8.9377 8.9377 9.1944 9.1944 10.1585 10.1585 k = 0.4205-0.0000 0.2088 ( 5090 PWs) bands (ev): -14.5131 -14.5131 -13.6718 -13.6718 -8.5034 -8.5034 -8.1989 -8.1989 -7.2970 -7.2970 -6.7172 -6.7172 -1.8396 -1.8396 -1.6320 -1.6320 -1.0039 -1.0039 -0.7747 -0.7747 0.2177 0.2177 0.3313 0.3313 3.4539 3.4539 3.6222 3.6222 4.4353 4.4353 4.7754 4.7754 4.8189 4.8189 5.0228 5.0228 7.6640 7.6640 8.1044 8.1044 8.4757 8.4757 8.9173 8.9173 9.2589 9.2589 10.1366 10.1366 k = 0.4318-0.0000 0.2088 ( 5092 PWs) bands (ev): -14.4539 -14.4539 -13.7299 -13.7299 -8.4503 -8.4503 -8.1877 -8.1877 -7.2982 -7.2982 -6.8002 -6.8002 -1.7865 -1.7865 -1.5892 -1.5892 -1.0658 -1.0658 -0.8394 -0.8394 0.2054 0.2054 0.2964 0.2964 3.4807 3.4807 3.6307 3.6307 4.4402 4.4402 4.7520 4.7520 4.8365 4.8365 5.0162 5.0162 7.7174 7.7174 8.1128 8.1128 8.4737 8.4737 8.8869 8.8869 9.3338 9.3338 10.1075 10.1075 k = 0.4432-0.0000 0.2088 ( 5088 PWs) bands (ev): -14.3942 -14.3942 -13.7888 -13.7888 -8.3997 -8.3997 -8.1801 -8.1801 -7.2946 -7.2946 -6.8788 -6.8788 -1.7339 -1.7339 -1.5461 -1.5461 -1.1234 -1.1234 -0.9033 -0.9033 0.1951 0.1951 0.2663 0.2663 3.5065 3.5065 3.6361 3.6361 4.4490 4.4490 4.7215 4.7215 4.8574 4.8574 5.0083 5.0083 7.7696 7.7696 8.1131 8.1131 8.4794 8.4794 8.8504 8.8504 9.4132 9.4132 10.0714 10.0714 k = 0.4545-0.0000 0.2088 ( 5098 PWs) bands (ev): -14.3340 -14.3340 -13.8483 -13.8483 -8.3527 -8.3527 -8.1766 -8.1766 -7.2854 -7.2854 -6.9521 -6.9521 -1.6821 -1.6821 -1.5049 -1.5049 -1.1748 -1.1748 -0.9662 -0.9662 0.1871 0.1871 0.2411 0.2411 3.5309 3.5309 3.6379 3.6379 4.4619 4.4619 4.6882 4.6882 4.8781 4.8781 4.9993 4.9993 7.8200 7.8200 8.1042 8.1042 8.4949 8.4949 8.8100 8.8100 9.4938 9.4938 10.0286 10.0286 k = 0.4659-0.0000 0.2088 ( 5100 PWs) bands (ev): -14.2734 -14.2734 -13.9083 -13.9083 -8.3100 -8.3100 -8.1778 -8.1778 -7.2701 -7.2701 -7.0195 -7.0195 -1.6312 -1.6312 -1.4703 -1.4703 -1.2154 -1.2154 -1.0276 -1.0276 0.1818 0.1818 0.2204 0.2204 3.5537 3.5537 3.6361 3.6361 4.4791 4.4791 4.6537 4.6537 4.8979 4.8979 4.9890 4.9890 7.8679 7.8679 8.0864 8.0864 8.5199 8.5199 8.7671 8.7671 9.5737 9.5737 9.9793 9.9793 k = 0.4773-0.0000 0.2088 ( 5096 PWs) bands (ev): -14.2126 -14.2126 -13.9688 -13.9688 -8.2726 -8.2726 -8.1843 -8.1843 -7.2477 -7.2477 -7.0804 -7.0804 -1.5817 -1.5817 -1.4525 -1.4525 -1.2355 -1.2355 -1.0866 -1.0866 0.1793 0.1793 0.2042 0.2042 3.5745 3.5745 3.6305 3.6305 4.5005 4.5005 4.6193 4.6193 4.9165 4.9165 4.9773 4.9773 7.9132 7.9132 8.0612 8.0612 8.5527 8.5527 8.7226 8.7226 9.6514 9.6514 9.9239 9.9239 k = 0.4886-0.0000 0.2088 ( 5088 PWs) bands (ev): -14.1516 -14.1516 -14.0296 -14.0296 -8.2409 -8.2409 -8.1968 -8.1968 -7.2177 -7.2177 -7.1340 -7.1340 -1.5347 -1.5347 -1.4615 -1.4615 -1.2253 -1.2253 -1.1418 -1.1418 0.1801 0.1801 0.1922 0.1922 3.5930 3.5930 3.6213 3.6213 4.5258 4.5258 4.5859 4.5859 4.9339 4.9339 4.9643 4.9643 7.9556 7.9556 8.0303 8.0303 8.5912 8.5912 8.6777 8.6777 9.7260 9.7260 9.8629 9.8629 k = 0.5000-0.0000 0.2088 ( 5092 PWs) bands (ev): -14.0905 -14.0905 -14.0905 -14.0905 -8.2157 -8.2157 -8.2157 -8.2157 -7.1798 -7.1798 -7.1798 -7.1798 -1.4925 -1.4925 -1.4925 -1.4925 -1.1903 -1.1903 -1.1903 -1.1903 0.1843 0.1843 0.1843 0.1843 3.6087 3.6087 3.6087 3.6087 4.5545 4.5545 4.5545 4.5545 4.9498 4.9498 4.9498 4.9498 7.9948 7.9948 7.9948 7.9948 8.6334 8.6334 8.6334 8.6334 9.7968 9.7968 9.7968 9.7968 k = 0.5000-0.0000 0.2088 ( 5092 PWs) bands (ev): -14.0905 -14.0905 -14.0905 -14.0905 -8.2157 -8.2157 -8.2157 -8.2157 -7.1798 -7.1798 -7.1798 -7.1798 -1.4925 -1.4925 -1.4925 -1.4925 -1.1903 -1.1903 -1.1903 -1.1903 0.1843 0.1843 0.1843 0.1843 3.6087 3.6087 3.6087 3.6087 4.5545 4.5545 4.5545 4.5545 4.9498 4.9498 4.9498 4.9498 7.9948 7.9948 7.9948 7.9948 8.6334 8.6334 8.6334 8.6334 9.7968 9.7968 9.7968 9.7968 k = 0.5000 0.0114 0.2088 ( 5088 PWs) bands (ev): -14.0903 -14.0903 -14.0897 -14.0897 -8.2155 -8.2155 -8.2155 -8.2155 -7.1827 -7.1827 -7.1826 -7.1826 -1.5453 -1.5453 -1.4497 -1.4497 -1.2249 -1.2249 -1.1356 -1.1356 0.1802 0.1802 0.1872 0.1872 3.6079 3.6079 3.6085 3.6085 4.5536 4.5536 4.5541 4.5541 4.9474 4.9474 4.9484 4.9484 7.9743 7.9743 8.0126 8.0126 8.6210 8.6210 8.6440 8.6440 9.7909 9.7909 9.8061 9.8061 k = 0.5000 0.0229 0.2088 ( 5088 PWs) bands (ev): -14.0888 -14.0888 -14.0876 -14.0876 -8.2152 -8.2152 -8.2151 -8.2151 -7.1911 -7.1911 -7.1909 -7.1909 -1.5989 -1.5989 -1.4352 -1.4352 -1.2211 -1.2211 -1.0701 -1.0701 0.1749 0.1749 0.1889 0.1889 3.6063 3.6063 3.6074 3.6074 4.5516 4.5516 4.5527 4.5527 4.9412 4.9412 4.9433 4.9433 7.9513 7.9513 8.0275 8.0275 8.6069 8.6069 8.6526 8.6526 9.7885 9.7885 9.8186 9.8186 k = 0.5000 0.0343 0.2088 ( 5084 PWs) bands (ev): -14.0863 -14.0863 -14.0845 -14.0845 -8.2146 -8.2146 -8.2145 -8.2145 -7.2050 -7.2050 -7.2048 -7.2048 -1.6497 -1.6497 -1.4531 -1.4531 -1.1750 -1.1750 -0.9974 -0.9974 0.1685 0.1685 0.1894 0.1894 3.6038 3.6038 3.6054 3.6054 4.5484 4.5484 4.5500 4.5500 4.9314 4.9314 4.9344 4.9344 7.9259 7.9259 8.0389 8.0389 8.5919 8.5919 8.6597 8.6597 9.7895 9.7895 9.8340 9.8340 k = 0.5000 0.0457 0.2088 ( 5084 PWs) bands (ev): -14.0826 -14.0826 -14.0802 -14.0802 -8.2137 -8.2137 -8.2136 -8.2136 -7.2242 -7.2242 -7.2240 -7.2240 -1.6967 -1.6967 -1.4854 -1.4854 -1.1047 -1.1047 -0.9188 -0.9188 0.1609 0.1609 0.1889 0.1889 3.6003 3.6003 3.6025 3.6025 4.5440 4.5440 4.5463 4.5463 4.9181 4.9181 4.9219 4.9219 7.8979 7.8979 8.0459 8.0459 8.5770 8.5770 8.6658 8.6658 9.7936 9.7936 9.8516 9.8516 k = 0.5000 0.0572 0.2088 ( 5084 PWs) bands (ev): -14.0777 -14.0777 -14.0748 -14.0748 -8.2126 -8.2126 -8.2125 -8.2125 -7.2485 -7.2485 -7.2483 -7.2483 -1.7391 -1.7391 -1.5205 -1.5205 -1.0221 -1.0221 -0.8354 -0.8354 0.1521 0.1521 0.1873 0.1873 3.5960 3.5960 3.5988 3.5988 4.5385 4.5385 4.5414 4.5414 4.9015 4.9015 4.9061 4.9061 7.8674 7.8674 8.0474 8.0474 8.5638 8.5638 8.6713 8.6713 9.8006 9.8006 9.8711 9.8711 k = 0.5000 0.0686 0.2088 ( 5080 PWs) bands (ev): -14.0718 -14.0718 -14.0683 -14.0683 -8.2113 -8.2113 -8.2111 -8.2111 -7.2776 -7.2776 -7.2776 -7.2776 -1.7768 -1.7768 -1.5541 -1.5541 -0.9319 -0.9319 -0.7477 -0.7477 0.1422 0.1422 0.1848 0.1848 3.5907 3.5907 3.5942 3.5942 4.5319 4.5319 4.5356 4.5356 4.8817 4.8817 4.8870 4.8870 7.8341 7.8341 8.0422 8.0422 8.5537 8.5537 8.6769 8.6769 9.8099 9.8099 9.8918 9.8918 k = 0.5000 0.0800 0.2088 ( 5076 PWs) bands (ev): -14.0648 -14.0648 -14.0608 -14.0608 -8.2098 -8.2098 -8.2096 -8.2096 -7.3115 -7.3115 -7.3113 -7.3113 -1.8097 -1.8097 -1.5845 -1.5845 -0.8362 -0.8362 -0.6564 -0.6564 0.1313 0.1313 0.1816 0.1816 3.5846 3.5846 3.5888 3.5888 4.5241 4.5241 4.5287 4.5287 4.8592 4.8592 4.8649 4.8649 7.7981 7.7981 8.0293 8.0293 8.5484 8.5484 8.6832 8.6832 9.8211 9.8211 9.9132 9.9132 k = 0.5000 0.0915 0.2088 ( 5076 PWs) bands (ev): -14.0568 -14.0568 -14.0522 -14.0522 -8.2081 -8.2081 -8.2079 -8.2079 -7.3497 -7.3497 -7.3492 -7.3492 -1.8378 -1.8378 -1.6112 -1.6112 -0.7361 -0.7361 -0.5622 -0.5622 0.1195 0.1195 0.1779 0.1779 3.5777 3.5777 3.5825 3.5825 4.5152 4.5152 4.5208 4.5208 4.8343 4.8343 4.8402 4.8402 7.7592 7.7592 8.0080 8.0080 8.5491 8.5491 8.6907 8.6907 9.8336 9.8336 9.9347 9.9347 k = 0.5000 0.1029 0.2088 ( 5068 PWs) bands (ev): -14.0477 -14.0477 -14.0427 -14.0427 -8.2063 -8.2063 -8.2060 -8.2060 -7.3918 -7.3918 -7.3910 -7.3910 -1.8611 -1.8611 -1.6339 -1.6339 -0.6326 -0.6326 -0.4660 -0.4660 0.1072 0.1072 0.1743 0.1743 3.5700 3.5700 3.5755 3.5755 4.5050 4.5050 4.5119 4.5119 4.8073 4.8073 4.8133 4.8133 7.7175 7.7175 7.9783 7.9783 8.5561 8.5561 8.6999 8.6999 9.8470 9.8470 9.9559 9.9559 k = 0.5000 0.1143 0.2088 ( 5080 PWs) bands (ev): -14.0377 -14.0377 -14.0322 -14.0322 -8.2043 -8.2043 -8.2041 -8.2041 -7.4374 -7.4374 -7.4362 -7.4362 -1.8799 -1.8799 -1.6526 -1.6526 -0.5269 -0.5269 -0.3692 -0.3692 0.0950 0.0950 0.1719 0.1719 3.5615 3.5615 3.5678 3.5678 4.4937 4.4937 4.5021 4.5021 4.7788 4.7788 4.7844 4.7844 7.6730 7.6730 7.9407 7.9407 8.5694 8.5694 8.7110 8.7110 9.8607 9.8607 9.9764 9.9764 k = 0.5000 0.1258 0.2088 ( 5084 PWs) bands (ev): -14.0268 -14.0268 -14.0208 -14.0208 -8.2023 -8.2023 -8.2020 -8.2020 -7.4862 -7.4862 -7.4845 -7.4845 -1.8942 -1.8942 -1.6672 -1.6672 -0.4206 -0.4206 -0.2743 -0.2743 0.0841 0.0841 0.1728 0.1728 3.5522 3.5522 3.5593 3.5593 4.4810 4.4810 4.4912 4.4912 4.7492 4.7492 4.7540 4.7540 7.6258 7.6258 7.8962 7.8962 8.5885 8.5885 8.7244 8.7244 9.8744 9.8744 9.9957 9.9957 k = 0.5000 0.1372 0.2088 ( 5084 PWs) bands (ev): -14.0150 -14.0150 -14.0086 -14.0086 -8.2003 -8.2003 -8.1999 -8.1999 -7.5375 -7.5375 -7.5354 -7.5354 -1.9041 -1.9041 -1.6778 -1.6778 -0.3172 -0.3172 -0.1858 -0.1858 0.0774 0.0774 0.1811 0.1811 3.5422 3.5422 3.5501 3.5501 4.4667 4.4667 4.4792 4.4792 4.7192 4.7192 4.7228 4.7228 7.5761 7.5761 7.8458 7.8458 8.6127 8.6127 8.7401 8.7401 9.8878 9.8878 10.0137 10.0137 k = 0.5000 0.1486 0.2088 ( 5092 PWs) bands (ev): -14.0024 -14.0024 -13.9956 -13.9956 -8.1983 -8.1983 -8.1979 -8.1979 -7.5910 -7.5910 -7.5884 -7.5884 -1.9100 -1.9100 -1.6846 -1.6846 -0.2238 -0.2238 -0.1122 -0.1122 0.0818 0.0818 0.2050 0.2050 3.5315 3.5315 3.5402 3.5402 4.4507 4.4507 4.4658 4.4658 4.6894 4.6894 4.6913 4.6913 7.5240 7.5240 7.7905 7.7905 8.6412 8.6412 8.7582 8.7582 9.9004 9.9004 10.0301 10.0301 k = 0.5000 0.1601 0.2088 ( 5088 PWs) bands (ev): -13.9890 -13.9890 -13.9818 -13.9818 -8.1964 -8.1964 -8.1960 -8.1960 -7.6463 -7.6463 -7.6431 -7.6431 -1.9119 -1.9119 -1.6876 -1.6876 -0.1555 -0.1555 -0.0635 -0.0635 0.1119 0.1119 0.2541 0.2541 3.5201 3.5201 3.5296 3.5296 4.4327 4.4327 4.4508 4.4508 4.6602 4.6602 4.6605 4.6605 7.4698 7.4698 7.7312 7.7312 8.6735 8.6735 8.7789 8.7789 9.9121 9.9121 10.0447 10.0447 k = 0.5000 0.1715 0.2088 ( 5092 PWs) bands (ev): -13.9749 -13.9749 -13.9675 -13.9675 -8.1948 -8.1948 -8.1943 -8.1943 -7.7026 -7.7026 -7.6990 -7.6990 -1.9100 -1.9100 -1.6871 -1.6871 -0.1253 -0.1253 -0.0418 -0.0418 0.1802 0.1802 0.3301 0.3301 3.5081 3.5081 3.5184 3.5184 4.4122 4.4122 4.4336 4.4336 4.6303 4.6303 4.6333 4.6333 7.4136 7.4136 7.6686 7.6686 8.7091 8.7091 8.8020 8.8020 9.9227 9.9227 10.0575 10.0575 k = 0.5000 0.1829 0.2088 ( 5092 PWs) bands (ev): -13.9602 -13.9602 -13.9525 -13.9525 -8.1937 -8.1937 -8.1931 -8.1931 -7.7596 -7.7596 -7.7555 -7.7555 -1.9045 -1.9045 -1.6831 -1.6831 -0.1245 -0.1245 -0.0394 -0.0394 0.2779 0.2779 0.4249 0.4249 3.4954 3.4954 3.5065 3.5065 4.3892 4.3892 4.4140 4.4140 4.6026 4.6026 4.6083 4.6083 7.3557 7.3557 7.6034 7.6034 8.7474 8.7474 8.8274 8.8274 9.9321 9.9321 10.0683 10.0683 k = 0.5000 0.1944 0.2088 ( 5100 PWs) bands (ev): -13.9450 -13.9450 -13.9370 -13.9370 -8.1933 -8.1933 -8.1926 -8.1926 -7.8165 -7.8165 -7.8120 -7.8120 -1.8956 -1.8956 -1.6759 -1.6759 -0.1388 -0.1388 -0.0485 -0.0485 0.3901 0.3901 0.5304 0.5304 3.4821 3.4821 3.4939 3.4939 4.3636 4.3636 4.3915 4.3915 4.5777 4.5777 4.5861 4.5861 7.2964 7.2964 7.5360 7.5360 8.7882 8.7882 8.8551 8.8551 9.9401 9.9401 10.0773 10.0773 k = 0.5000 0.2058 0.2088 ( 5100 PWs) bands (ev): -13.9293 -13.9293 -13.9212 -13.9212 -8.1942 -8.1942 -8.1932 -8.1932 -7.8725 -7.8725 -7.8676 -7.8676 -1.8835 -1.8835 -1.6655 -1.6655 -0.1609 -0.1609 -0.0645 -0.0645 0.5092 0.5092 0.6418 0.6418 3.4682 3.4682 3.4806 3.4806 4.3356 4.3356 4.3659 4.3659 4.5563 4.5563 4.5669 4.5669 7.2358 7.2358 7.4670 7.4670 8.8311 8.8311 8.8850 8.8850 9.9468 9.9468 10.0843 10.0843 k = 0.5000 0.2172 0.2088 ( 5100 PWs) bands (ev): -13.9133 -13.9133 -13.9050 -13.9050 -8.1970 -8.1970 -8.1957 -8.1957 -7.9264 -7.9264 -7.9214 -7.9214 -1.8683 -1.8683 -1.6521 -1.6521 -0.1877 -0.1877 -0.0852 -0.0852 0.6318 0.6318 0.7563 0.7563 3.4537 3.4537 3.4665 3.4665 4.3055 4.3055 4.3375 4.3375 4.5385 4.5385 4.5506 4.5506 7.1742 7.1742 7.3967 7.3967 8.8757 8.8757 8.9168 8.9168 9.9520 9.9520 10.0895 10.0895 k = 0.5000 0.2287 0.2088 ( 5100 PWs) bands (ev): -13.8969 -13.8969 -13.8886 -13.8886 -8.2031 -8.2031 -8.2014 -8.2014 -7.9766 -7.9766 -7.9717 -7.9717 -1.8502 -1.8502 -1.6360 -1.6360 -0.2177 -0.2177 -0.1095 -0.1095 0.7561 0.7561 0.8727 0.8727 3.4384 3.4384 3.4515 3.4515 4.2739 4.2739 4.3067 4.3067 4.5240 4.5240 4.5370 4.5370 7.1120 7.1120 7.3254 7.3254 8.9219 8.9219 8.9504 8.9504 9.9560 9.9560 10.0929 10.0929 k = 0.5000 0.2401 0.2088 ( 5100 PWs) bands (ev): -13.8804 -13.8804 -13.8720 -13.8720 -8.2147 -8.2147 -8.2122 -8.2122 -8.0206 -8.0206 -8.0162 -8.0162 -1.8294 -1.8294 -1.6172 -1.6172 -0.2502 -0.2502 -0.1366 -0.1366 0.8811 0.8811 0.9898 0.9898 3.4224 3.4224 3.4356 3.4356 4.2414 4.2414 4.2743 4.2743 4.5126 4.5126 4.5261 4.5261 7.0493 7.0493 7.2536 7.2536 8.9692 8.9692 8.9856 8.9856 9.9587 9.9587 10.0947 10.0947 k = 0.5000 0.2515 0.2088 ( 5096 PWs) bands (ev): -13.8639 -13.8639 -13.8555 -13.8555 -8.2345 -8.2345 -8.2308 -8.2308 -8.0553 -8.0553 -8.0518 -8.0518 -1.8060 -1.8060 -1.5959 -1.5959 -0.2849 -0.2849 -0.1662 -0.1662 1.0061 1.0061 1.1069 1.1069 3.4056 3.4056 3.4187 3.4187 4.2084 4.2084 4.2409 4.2409 4.5039 4.5039 4.5174 4.5174 6.9865 6.9865 7.1814 7.1814 9.0174 9.0174 9.0221 9.0221 9.9604 9.9604 10.0951 10.0951 k = 0.5000 0.2630 0.2088 ( 5088 PWs) bands (ev): -13.8474 -13.8474 -13.8390 -13.8390 -8.2637 -8.2637 -8.2588 -8.2588 -8.0792 -8.0792 -8.0767 -8.0767 -1.7802 -1.7802 -1.5722 -1.5722 -0.3214 -0.3214 -0.1979 -0.1979 1.1304 1.1304 1.2235 1.2235 3.3878 3.3878 3.4007 3.4007 4.1756 4.1756 4.2072 4.2072 4.4976 4.4976 4.5109 4.5109 6.9238 6.9238 7.1093 7.1093 9.0598 9.0598 9.0662 9.0662 9.9610 9.9610 10.0942 10.0942 k = 0.5000 0.2744 0.2088 ( 5096 PWs) bands (ev): -13.8310 -13.8310 -13.8228 -13.8228 -8.3009 -8.3009 -8.2950 -8.2950 -8.0936 -8.0936 -8.0919 -8.0919 -1.7521 -1.7521 -1.5464 -1.5464 -0.3594 -0.3594 -0.2316 -0.2316 1.2535 1.2535 1.3391 1.3391 3.3690 3.3690 3.3814 3.3814 4.1433 4.1433 4.1736 4.1736 4.4934 4.4934 4.5064 4.5064 6.8617 6.8617 7.0376 7.0376 9.0982 9.0982 9.1152 9.1152 9.9608 9.9608 10.0921 10.0921 k = 0.5000 0.2858 0.2088 ( 5096 PWs) bands (ev): -13.8149 -13.8149 -13.8069 -13.8069 -8.3425 -8.3425 -8.3361 -8.3361 -8.1015 -8.1015 -8.1004 -8.1004 -1.7218 -1.7218 -1.5187 -1.5187 -0.3988 -0.3988 -0.2670 -0.2670 1.3750 1.3750 1.4532 1.4532 3.3491 3.3491 3.3607 3.3607 4.1118 4.1118 4.1406 4.1406 4.4912 4.4912 4.5038 4.5038 6.8004 6.8004 6.9665 6.9665 9.1373 9.1373 9.1639 9.1639 9.9599 9.9599 10.0890 10.0890 k = 0.5000 0.2973 0.2088 ( 5096 PWs) bands (ev): -13.7992 -13.7992 -13.7914 -13.7914 -8.3858 -8.3858 -8.3791 -8.3791 -8.1056 -8.1056 -8.1048 -8.1048 -1.6897 -1.6897 -1.4891 -1.4891 -0.4394 -0.4394 -0.3040 -0.3040 1.4945 1.4945 1.5654 1.5654 3.3277 3.3277 3.3384 3.3384 4.0815 4.0815 4.1084 4.1084 4.4907 4.4907 4.5029 4.5029 6.7403 6.7403 6.8965 6.8965 9.1766 9.1766 9.2120 9.2120 9.9586 9.9586 10.0852 10.0852 k = 0.5000 0.3087 0.2088 ( 5096 PWs) bands (ev): -13.7839 -13.7839 -13.7765 -13.7765 -8.4289 -8.4289 -8.4222 -8.4222 -8.1074 -8.1074 -8.1068 -8.1068 -1.6557 -1.6557 -1.4580 -1.4580 -0.4810 -0.4810 -0.3424 -0.3424 1.6115 1.6115 1.6752 1.6752 3.3049 3.3049 3.3145 3.3145 4.0526 4.0526 4.0775 4.0775 4.4919 4.4919 4.5036 4.5036 6.6819 6.6819 6.8280 6.8280 9.2157 9.2157 9.2589 9.2589 9.9572 9.9572 10.0806 10.0806 k = 0.5000 0.3201 0.2088 ( 5096 PWs) bands (ev): -13.7694 -13.7694 -13.7623 -13.7623 -8.4706 -8.4706 -8.4640 -8.4640 -8.1079 -8.1079 -8.1074 -8.1074 -1.6201 -1.6201 -1.4256 -1.4256 -0.5232 -0.5232 -0.3820 -0.3820 1.7256 1.7256 1.7824 1.7824 3.2804 3.2804 3.2887 3.2887 4.0253 4.0253 4.0480 4.0480 4.4946 4.4946 4.5058 4.5058 6.6256 6.6256 6.7613 6.7613 9.2544 9.2544 9.3042 9.3042 9.9558 9.9558 10.0756 10.0756 k = 0.5000 0.3316 0.2088 ( 5092 PWs) bands (ev): -13.7555 -13.7555 -13.7489 -13.7489 -8.5102 -8.5102 -8.5038 -8.5038 -8.1076 -8.1076 -8.1072 -8.1072 -1.5831 -1.5831 -1.3921 -1.3921 -0.5658 -0.5658 -0.4227 -0.4227 1.8363 1.8363 1.8865 1.8865 3.2540 3.2540 3.2609 3.2609 3.9999 3.9999 4.0203 4.0203 4.4987 4.4987 4.5093 4.5093 6.5719 6.5719 6.6970 6.6970 9.2922 9.2922 9.3473 9.3473 9.9548 9.9548 10.0702 10.0702 k = 0.5000 0.3430 0.2088 ( 5096 PWs) bands (ev): -13.7425 -13.7425 -13.7363 -13.7363 -8.5471 -8.5471 -8.5411 -8.5411 -8.1069 -8.1069 -8.1066 -8.1066 -1.5448 -1.5448 -1.3579 -1.3579 -0.6085 -0.6085 -0.4641 -0.4641 1.9433 1.9433 1.9870 1.9870 3.2255 3.2255 3.2311 3.2311 3.9764 3.9764 3.9944 3.9944 4.5039 4.5039 4.5139 4.5139 6.5213 6.5213 6.6355 6.6355 9.3288 9.3288 9.3874 9.3874 9.9544 9.9544 10.0645 10.0645 k = 0.5000 0.3544 0.2088 ( 5096 PWs) bands (ev): -13.7305 -13.7305 -13.7249 -13.7249 -8.5809 -8.5809 -8.5753 -8.5753 -8.1059 -8.1059 -8.1057 -8.1057 -1.5054 -1.5054 -1.3236 -1.3236 -0.6507 -0.6507 -0.5062 -0.5062 2.0460 2.0460 2.0837 2.0837 3.1949 3.1949 3.1991 3.1991 3.9550 3.9550 3.9706 3.9706 4.5100 4.5100 4.5194 4.5194 6.4745 6.4745 6.5774 6.5774 9.3637 9.3637 9.4241 9.4241 9.9550 9.9550 10.0586 10.0586 k = 0.5000 0.3659 0.2088 ( 5108 PWs) bands (ev): -13.7196 -13.7196 -13.7145 -13.7145 -8.6113 -8.6113 -8.6062 -8.6062 -8.1049 -8.1049 -8.1047 -8.1047 -1.4652 -1.4652 -1.2897 -1.2897 -0.6918 -0.6918 -0.5485 -0.5485 2.1441 2.1441 2.1761 2.1761 3.1620 3.1620 3.1650 3.1650 3.9358 3.9358 3.9491 3.9491 4.5168 4.5168 4.5254 4.5254 6.4320 6.4320 6.5232 6.5232 9.3966 9.3966 9.4567 9.4567 9.9566 9.9566 10.0525 10.0525 k = 0.5000 0.3773 0.2088 ( 5108 PWs) bands (ev): -13.7098 -13.7098 -13.7054 -13.7054 -8.6381 -8.6381 -8.6336 -8.6336 -8.1038 -8.1038 -8.1036 -8.1036 -1.4245 -1.4245 -1.2572 -1.2572 -0.7308 -0.7308 -0.5909 -0.5909 2.2369 2.2369 2.2635 2.2635 3.1270 3.1270 3.1290 3.1290 3.9190 3.9190 3.9301 3.9301 4.5238 4.5238 4.5316 4.5316 6.3943 6.3943 6.4735 6.4735 9.4271 9.4271 9.4846 9.4846 9.9596 9.9596 10.0461 10.0461 k = 0.5000 0.3887 0.2088 ( 5096 PWs) bands (ev): -13.7013 -13.7013 -13.6975 -13.6975 -8.6610 -8.6610 -8.6571 -8.6571 -8.1029 -8.1029 -8.1027 -8.1027 -1.3837 -1.3837 -1.2276 -1.2276 -0.7663 -0.7663 -0.6328 -0.6328 2.3236 2.3236 2.3452 2.3452 3.0901 3.0901 3.0913 3.0913 3.9047 3.9047 3.9137 3.9137 4.5308 4.5308 4.5376 4.5376 6.3623 6.3623 6.4290 6.4290 9.4547 9.4547 9.5074 9.5074 9.9641 9.9641 10.0396 10.0396 k = 0.5000 0.4002 0.2088 ( 5100 PWs) bands (ev): -13.6942 -13.6942 -13.6911 -13.6911 -8.6799 -8.6799 -8.6767 -8.6767 -8.1020 -8.1020 -8.1019 -8.1019 -1.3432 -1.3432 -1.2029 -1.2029 -0.7961 -0.7961 -0.6738 -0.6738 2.4032 2.4032 2.4202 2.4202 3.0520 3.0520 3.0527 3.0527 3.8930 3.8930 3.8999 3.8999 4.5374 4.5374 4.5431 4.5431 6.3363 6.3363 6.3903 6.3903 9.4793 9.4793 9.5247 9.5247 9.9698 9.9698 10.0327 10.0327 k = 0.5000 0.4116 0.2088 ( 5092 PWs) bands (ev): -13.6884 -13.6884 -13.6861 -13.6861 -8.6946 -8.6946 -8.6922 -8.6922 -8.1013 -8.1013 -8.1012 -8.1012 -1.3039 -1.3039 -1.1861 -1.1861 -0.8175 -0.8175 -0.7131 -0.7131 2.4739 2.4739 2.4865 2.4865 3.0142 3.0142 3.0147 3.0147 3.8839 3.8839 3.8890 3.8890 4.5432 4.5432 4.5476 4.5476 6.3171 6.3171 6.3579 6.3579 9.5003 9.5003 9.5364 9.5364 9.9768 9.9768 10.0255 10.0255 k = 0.5000 0.4230 0.2088 ( 5092 PWs) bands (ev): -13.6842 -13.6842 -13.6826 -13.6826 -8.7051 -8.7051 -8.7035 -8.7035 -8.1008 -8.1008 -8.1007 -8.1007 -1.2667 -1.2667 -1.1803 -1.1803 -0.8272 -0.8272 -0.7497 -0.7497 2.5324 2.5324 2.5409 2.5409 2.9798 2.9798 2.9803 2.9803 3.8776 3.8776 3.8809 3.8809 4.5479 4.5479 4.5509 4.5509 6.3050 6.3050 6.3324 6.3324 9.5176 9.5176 9.5427 9.5427 9.9846 9.9846 10.0179 10.0179 k = 0.5000 0.4345 0.2088 ( 5088 PWs) bands (ev): -13.6815 -13.6815 -13.6807 -13.6807 -8.7112 -8.7112 -8.7104 -8.7104 -8.1005 -8.1005 -8.1004 -8.1004 -1.2331 -1.2331 -1.1871 -1.1871 -0.8236 -0.8236 -0.7820 -0.7820 2.5735 2.5735 2.5779 2.5779 2.9542 2.9542 2.9545 2.9545 3.8741 3.8741 3.8757 3.8757 4.5511 4.5511 4.5526 4.5526 6.3004 6.3004 6.3141 6.3141 9.5308 9.5308 9.5436 9.5436 9.9930 9.9930 10.0098 10.0098 k = 0.5000 0.4459 0.2088 ( 5088 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2056 -1.2056 -1.2056 -1.2056 -0.8076 -0.8076 -0.8076 -0.8076 2.5900 2.5900 2.5900 2.5900 2.9445 2.9445 2.9445 2.9445 3.8735 3.8735 3.8735 3.8735 4.5527 4.5527 4.5527 4.5527 6.3034 6.3034 6.3034 6.3034 9.5395 9.5395 9.5395 9.5395 10.0015 10.0015 10.0015 10.0015 k = 0.5000 0.4459 0.2088 ( 5088 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2056 -1.2056 -1.2056 -1.2056 -0.8076 -0.8076 -0.8076 -0.8076 2.5900 2.5900 2.5900 2.5900 2.9445 2.9445 2.9445 2.9445 3.8735 3.8735 3.8735 3.8735 4.5527 4.5527 4.5527 4.5527 6.3034 6.3034 6.3034 6.3034 9.5395 9.5395 9.5395 9.5395 10.0015 10.0015 10.0015 10.0015 k = 0.4886 0.4459 0.2088 ( 5092 PWs) bands (ev): -13.6819 -13.6819 -13.6808 -13.6808 -8.7139 -8.7139 -8.7133 -8.7133 -8.0994 -8.0994 -8.0967 -8.0967 -1.2241 -1.2241 -1.1875 -1.1875 -0.8242 -0.8242 -0.7862 -0.7862 2.5813 2.5813 2.5888 2.5888 2.9422 2.9422 2.9482 2.9482 3.8726 3.8726 3.8773 3.8773 4.5505 4.5505 4.5596 4.5596 6.3020 6.3020 6.3067 6.3067 9.5003 9.5003 9.5722 9.5722 9.9627 9.9627 10.0403 10.0403 k = 0.4773 0.4459 0.2088 ( 5104 PWs) bands (ev): -13.6856 -13.6856 -13.6833 -13.6833 -8.7159 -8.7159 -8.7148 -8.7148 -8.0940 -8.0940 -8.0886 -8.0886 -1.2424 -1.2424 -1.1705 -1.1705 -0.8350 -0.8350 -0.7604 -0.7604 2.5632 2.5632 2.5778 2.5778 2.9408 2.9408 2.9528 2.9528 3.8747 3.8747 3.8837 3.8837 4.5528 4.5528 4.5711 4.5711 6.3024 6.3024 6.3118 6.3118 9.4561 9.4561 9.5961 9.5961 9.9263 9.9263 10.0778 10.0778 k = 0.4659 0.4459 0.2088 ( 5104 PWs) bands (ev): -13.6912 -13.6912 -13.6878 -13.6878 -8.7191 -8.7191 -8.7174 -8.7174 -8.0840 -8.0840 -8.0760 -8.0760 -1.2601 -1.2601 -1.1557 -1.1557 -0.8390 -0.8390 -0.7306 -0.7306 2.5368 2.5368 2.5578 2.5578 2.9398 2.9398 2.9578 2.9578 3.8799 3.8799 3.8923 3.8923 4.5595 4.5595 4.5873 4.5873 6.3047 6.3047 6.3187 6.3187 9.4078 9.4078 9.6077 9.6077 9.8958 9.8958 10.1129 10.1129 k = 0.4545 0.4459 0.2088 ( 5100 PWs) bands (ev): -13.6989 -13.6989 -13.6944 -13.6944 -8.7235 -8.7235 -8.7214 -8.7214 -8.0694 -8.0694 -8.0590 -8.0590 -1.2771 -1.2771 -1.1443 -1.1443 -0.8352 -0.8352 -0.6970 -0.6970 2.5031 2.5031 2.5298 2.5298 2.9385 2.9385 2.9623 2.9623 3.8879 3.8879 3.9024 3.9024 4.5707 4.5707 4.6083 4.6083 6.3088 6.3088 6.3274 6.3274 9.3561 9.3561 9.6033 9.6033 9.8750 9.8750 10.1450 10.1450 k = 0.4432 0.4459 0.2088 ( 5108 PWs) bands (ev): -13.7084 -13.7084 -13.7028 -13.7028 -8.7291 -8.7291 -8.7266 -8.7266 -8.0502 -8.0502 -8.0375 -8.0375 -1.2933 -1.2933 -1.1373 -1.1373 -0.8225 -0.8225 -0.6596 -0.6596 2.4634 2.4634 2.4950 2.4950 2.9362 2.9362 2.9657 2.9657 3.8984 3.8984 3.9137 3.9137 4.5861 4.5861 4.6339 4.6339 6.3146 6.3146 6.3378 6.3378 9.3018 9.3018 9.5814 9.5814 9.8655 9.8655 10.1736 10.1736 k = 0.4318 0.4459 0.2088 ( 5104 PWs) bands (ev): -13.7197 -13.7197 -13.7132 -13.7132 -8.7359 -8.7359 -8.7331 -8.7331 -8.0265 -8.0265 -8.0116 -8.0116 -1.3086 -1.3086 -1.1347 -1.1347 -0.8008 -0.8008 -0.6185 -0.6185 2.4188 2.4188 2.4543 2.4543 2.9325 2.9325 2.9673 2.9673 3.9108 3.9108 3.9254 3.9254 4.6058 4.6058 4.6641 4.6641 6.3221 6.3221 6.3499 6.3499 9.2452 9.2452 9.5447 9.5447 9.8646 9.8646 10.1984 10.1984 k = 0.4205 0.4459 0.2088 ( 5100 PWs) bands (ev): -13.7328 -13.7328 -13.7253 -13.7253 -8.7440 -8.7440 -8.7410 -8.7410 -7.9983 -7.9983 -7.9815 -7.9815 -1.3232 -1.3232 -1.1363 -1.1363 -0.7705 -0.7705 -0.5737 -0.5737 2.3700 2.3700 2.4086 2.4086 2.9271 2.9271 2.9670 2.9670 3.9246 3.9246 3.9373 3.9373 4.6296 4.6296 4.6986 4.6986 6.3311 6.3311 6.3634 6.3634 9.1868 9.1868 9.4976 9.4976 9.8681 9.8681 10.2191 10.2191 k = 0.4091 0.4459 0.2088 ( 5104 PWs) bands (ev): -13.7474 -13.7474 -13.7390 -13.7390 -8.7532 -8.7532 -8.7502 -8.7502 -7.9658 -7.9658 -7.9472 -7.9472 -1.3370 -1.3370 -1.1411 -1.1411 -0.7327 -0.7327 -0.5252 -0.5252 2.3178 2.3178 2.3587 2.3587 2.9199 2.9199 2.9646 2.9646 3.9393 3.9393 3.9488 3.9488 4.6574 4.6574 4.7372 4.7372 6.3416 6.3416 6.3784 6.3784 9.1270 9.1270 9.4439 9.4439 9.8724 9.8724 10.2352 10.2352 k = 0.3977 0.4459 0.2088 ( 5096 PWs) bands (ev): -13.7636 -13.7636 -13.7543 -13.7543 -8.7638 -8.7638 -8.7607 -8.7607 -7.9289 -7.9289 -7.9088 -7.9088 -1.3501 -1.3501 -1.1481 -1.1481 -0.6882 -0.6882 -0.4730 -0.4730 2.2626 2.2626 2.3051 2.3051 2.9108 2.9108 2.9600 2.9600 3.9543 3.9543 3.9598 3.9598 4.6888 4.6888 4.7794 4.7794 6.3536 6.3536 6.3947 6.3947 9.0663 9.0663 9.3861 9.3861 9.8752 9.8752 10.2467 10.2467 k = 0.3864 0.4459 0.2088 ( 5096 PWs) bands (ev): -13.7811 -13.7811 -13.7711 -13.7711 -8.7754 -8.7754 -8.7724 -8.7724 -7.8880 -7.8880 -7.8665 -7.8665 -1.3624 -1.3624 -1.1566 -1.1566 -0.6379 -0.6379 -0.4171 -0.4171 2.2051 2.2051 2.2484 2.2484 2.9000 2.9000 2.9536 2.9536 3.9692 3.9692 3.9699 3.9699 4.7237 4.7237 4.8248 4.8248 6.3668 6.3668 6.4122 6.4122 9.0051 9.0051 9.3258 9.3258 9.8750 9.8750 10.2533 10.2533 k = 0.3750 0.4459 0.2088 ( 5096 PWs) bands (ev): -13.7998 -13.7998 -13.7891 -13.7891 -8.7882 -8.7882 -8.7854 -8.7854 -7.8431 -7.8431 -7.8205 -7.8205 -1.3740 -1.3740 -1.1660 -1.1660 -0.5826 -0.5826 -0.3576 -0.3576 2.1455 2.1455 2.1889 2.1889 2.8876 2.8876 2.9453 2.9453 3.9791 3.9791 3.9836 3.9836 4.7615 4.7615 4.8728 4.8728 6.3812 6.3812 6.4309 6.4309 8.9438 8.9438 9.2641 9.2641 9.8708 9.8708 10.2547 10.2547 k = 0.3636 0.4459 0.2088 ( 5092 PWs) bands (ev): -13.8196 -13.8196 -13.8083 -13.8083 -8.8020 -8.8020 -8.7994 -8.7994 -7.7946 -7.7946 -7.7710 -7.7710 -1.3848 -1.3848 -1.1758 -1.1758 -0.5227 -0.5227 -0.2947 -0.2947 2.0841 2.0841 2.1270 2.1270 2.8738 2.8738 2.9355 2.9355 3.9872 3.9872 3.9972 3.9972 4.8018 4.8018 4.9229 4.9229 6.3967 6.3967 6.4506 6.4506 8.8827 8.8827 9.2019 9.2019 9.8622 9.8622 10.2507 10.2507 k = 0.3523 0.4459 0.2088 ( 5088 PWs) bands (ev): -13.8404 -13.8404 -13.8286 -13.8286 -8.8168 -8.8168 -8.8144 -8.8144 -7.7426 -7.7426 -7.7183 -7.7183 -1.3949 -1.3949 -1.1855 -1.1855 -0.4589 -0.4589 -0.2284 -0.2284 2.0211 2.0211 2.0629 2.0629 2.8587 2.8587 2.9245 2.9245 3.9943 3.9943 4.0098 4.0098 4.8441 4.8441 4.9744 4.9744 6.4134 6.4134 6.4714 6.4714 8.8224 8.8224 9.1397 9.1397 9.8485 9.8485 10.2411 10.2411 k = 0.3409 0.4459 0.2088 ( 5084 PWs) bands (ev): -13.8619 -13.8619 -13.8497 -13.8497 -8.8324 -8.8324 -8.8302 -8.8302 -7.6874 -7.6874 -7.6625 -7.6625 -1.4041 -1.4041 -1.1948 -1.1948 -0.3915 -0.3915 -0.1589 -0.1589 1.9567 1.9567 1.9968 1.9968 2.8426 2.8426 2.9126 2.9126 4.0004 4.0004 4.0214 4.0214 4.8878 4.8878 5.0267 5.0267 6.4312 6.4312 6.4931 6.4931 8.7630 8.7630 9.0782 9.0782 9.8296 9.8296 10.2258 10.2258 k = 0.3295 0.4459 0.2088 ( 5088 PWs) bands (ev): -13.8842 -13.8842 -13.8715 -13.8715 -8.8488 -8.8488 -8.8469 -8.8469 -7.6293 -7.6293 -7.6040 -7.6040 -1.4123 -1.4123 -1.2036 -1.2036 -0.3209 -0.3209 -0.0866 -0.0866 1.8910 1.8910 1.9289 1.9289 2.8258 2.8258 2.8999 2.8999 4.0054 4.0054 4.0318 4.0318 4.9321 4.9321 5.0790 5.0790 6.4501 6.4501 6.5158 6.5158 8.7051 8.7051 9.0178 9.0178 9.8052 9.8052 10.2046 10.2046 k = 0.3182 0.4459 0.2088 ( 5092 PWs) bands (ev): -13.9069 -13.9069 -13.8940 -13.8940 -8.8659 -8.8659 -8.8641 -8.8641 -7.5686 -7.5686 -7.5431 -7.5431 -1.4195 -1.4195 -1.2116 -1.2116 -0.2474 -0.2474 -0.0115 -0.0115 1.8242 1.8242 1.8594 1.8594 2.8086 2.8086 2.8870 2.8870 4.0094 4.0094 4.0410 4.0410 4.9763 4.9763 5.1307 5.1307 6.4703 6.4703 6.5397 6.5397 8.6489 8.6489 8.9590 8.9590 9.7752 9.7752 10.1775 10.1775 k = 0.3068 0.4459 0.2088 ( 5092 PWs) bands (ev): -13.9300 -13.9300 -13.9169 -13.9169 -8.8834 -8.8834 -8.8820 -8.8820 -7.5055 -7.5055 -7.4799 -7.4799 -1.4255 -1.4255 -1.2186 -1.2186 -0.1716 -0.1716 0.0659 0.0659 1.7564 1.7564 1.7883 1.7883 2.7914 2.7914 2.8741 2.8741 4.0124 4.0124 4.0491 4.0491 5.0197 5.0197 5.1810 5.1810 6.4918 6.4918 6.5647 6.5647 8.5945 8.5945 8.9021 8.9021 9.7394 9.7394 10.1444 10.1444 k = 0.2955 0.4459 0.2088 ( 5088 PWs) bands (ev): -13.9534 -13.9534 -13.9401 -13.9401 -8.9014 -8.9014 -8.9002 -8.9002 -7.4405 -7.4405 -7.4149 -7.4149 -1.4302 -1.4302 -1.2243 -1.2243 -0.0938 -0.0938 0.1453 0.1453 1.6876 1.6876 1.7158 1.7158 2.7744 2.7744 2.8616 2.8616 4.0145 4.0145 4.0561 4.0561 5.0615 5.0615 5.2290 5.2290 6.5150 6.5150 6.5911 6.5911 8.5424 8.5424 8.8473 8.8473 9.6980 9.6980 10.1054 10.1054 k = 0.2841 0.4459 0.2088 ( 5084 PWs) bands (ev): -13.9769 -13.9769 -13.9636 -13.9636 -8.9197 -8.9197 -8.9187 -8.9187 -7.3737 -7.3737 -7.3483 -7.3483 -1.4335 -1.4335 -1.2287 -1.2287 -0.0144 -0.0144 0.2261 0.2261 1.6179 1.6179 1.6419 1.6419 2.7580 2.7580 2.8500 2.8500 4.0157 4.0157 4.0621 4.0621 5.1009 5.1009 5.2741 5.2741 6.5400 6.5400 6.6192 6.6192 8.4925 8.4925 8.7949 8.7949 9.6511 9.6511 10.0606 10.0606 k = 0.2727 0.4459 0.2088 ( 5084 PWs) bands (ev): -14.0004 -14.0004 -13.9870 -13.9870 -8.9382 -8.9382 -8.9374 -8.9374 -7.3055 -7.3055 -7.2805 -7.2805 -1.4352 -1.4352 -1.2316 -1.2316 0.0659 0.0659 0.3080 0.3080 1.5474 1.5474 1.5668 1.5668 2.7429 2.7429 2.8395 2.8395 4.0161 4.0161 4.0672 4.0672 5.1371 5.1371 5.3154 5.3154 6.5671 6.5671 6.6490 6.6490 8.4450 8.4450 8.7449 8.7449 9.5991 9.5991 10.0102 10.0102 k = 0.2614 0.4459 0.2088 ( 5092 PWs) bands (ev): -14.0237 -14.0237 -14.0105 -14.0105 -8.9567 -8.9567 -8.9562 -8.9562 -7.2363 -7.2363 -7.2118 -7.2118 -1.4351 -1.4351 -1.2327 -1.2327 0.1468 0.1468 0.3903 0.3903 1.4761 1.4761 1.4905 1.4905 2.7293 2.7293 2.8307 2.8307 4.0157 4.0157 4.0714 4.0714 5.1695 5.1695 5.3523 5.3523 6.5965 6.5965 6.6809 6.6809 8.3998 8.3998 8.6974 8.6974 9.5423 9.5423 9.9547 9.9547 k = 0.2500 0.4459 0.2088 ( 5092 PWs) bands (ev): -14.0469 -14.0469 -14.0337 -14.0337 -8.9753 -8.9753 -8.9750 -8.9750 -7.1664 -7.1664 -7.1425 -7.1425 -1.4332 -1.4332 -1.2319 -1.2319 0.2275 0.2275 0.4722 0.4722 1.4043 1.4043 1.4133 1.4133 2.7180 2.7180 2.8240 2.8240 4.0146 4.0146 4.0748 4.0748 5.1975 5.1975 5.3841 5.3841 6.6284 6.6284 6.7151 6.7151 8.3569 8.3569 8.6521 8.6521 9.4814 9.4814 9.8945 9.8945 k = 0.2386 0.4459 0.2088 ( 5092 PWs) bands (ev): -14.0696 -14.0696 -14.0567 -14.0567 -8.9938 -8.9938 -8.9936 -8.9936 -7.0961 -7.0961 -7.0729 -7.0729 -1.4291 -1.4291 -1.2290 -1.2290 0.3073 0.3073 0.5528 0.5528 1.3322 1.3322 1.3353 1.3353 2.7094 2.7094 2.8198 2.8198 4.0129 4.0129 4.0776 4.0776 5.2206 5.2206 5.4104 5.4104 6.6630 6.6630 6.7515 6.7515 8.3161 8.3161 8.6089 8.6089 9.4171 9.4171 9.8302 9.8302 k = 0.2273 0.4459 0.2088 ( 5084 PWs) bands (ev): -14.0920 -14.0920 -14.0793 -14.0793 -9.0120 -9.0120 -9.0120 -9.0120 -7.0258 -7.0258 -7.0034 -7.0034 -1.4229 -1.4229 -1.2240 -1.2240 0.3852 0.3852 0.6309 0.6309 1.2571 1.2571 1.2603 1.2603 2.7043 2.7043 2.8187 2.8187 4.0106 4.0106 4.0797 4.0797 5.2385 5.2385 5.4309 5.4309 6.7002 6.7002 6.7903 6.7903 8.2770 8.2770 8.5671 8.5671 9.3506 9.3506 9.7626 9.7626 k = 0.2159 0.4459 0.2088 ( 5080 PWs) bands (ev): -14.1137 -14.1137 -14.1014 -14.1014 -9.0301 -9.0301 -9.0299 -9.0299 -6.9558 -6.9558 -6.9344 -6.9344 -1.4143 -1.4143 -1.2166 -1.2166 0.4601 0.4601 0.7046 0.7046 1.1792 1.1792 1.1897 1.1897 2.7033 2.7033 2.8211 2.8211 4.0077 4.0077 4.0813 4.0813 5.2511 5.2511 5.4454 5.4454 6.7398 6.7398 6.8311 6.8311 8.2395 8.2395 8.5261 8.5261 9.2829 9.2829 9.6925 9.6925 k = 0.2045 0.4459 0.2088 ( 5084 PWs) bands (ev): -14.1349 -14.1349 -14.1229 -14.1229 -9.0478 -9.0478 -9.0475 -9.0475 -6.8865 -6.8865 -6.8661 -6.8661 -1.4031 -1.4031 -1.2067 -1.2067 0.5301 0.5301 0.7704 0.7704 1.1030 1.1030 1.1232 1.1232 2.7071 2.7071 2.8274 2.8274 4.0044 4.0044 4.0825 4.0825 5.2584 5.2584 5.4540 5.4540 6.7817 6.7817 6.8737 6.8737 8.2030 8.2030 8.4849 8.4849 9.2157 9.2157 9.6209 9.6209 k = 0.1932 0.4459 0.2088 ( 5088 PWs) bands (ev): -14.1553 -14.1553 -14.1437 -14.1437 -9.0649 -9.0649 -9.0645 -9.0645 -6.8183 -6.8183 -6.7990 -6.7990 -1.3892 -1.3892 -1.1941 -1.1941 0.5918 0.5918 0.8198 0.8198 1.0313 1.0313 1.0684 1.0684 2.7164 2.7164 2.8382 2.8382 4.0007 4.0007 4.0834 4.0834 5.2605 5.2605 5.4567 5.4567 6.8252 6.8252 6.9176 6.9176 8.1673 8.1673 8.4427 8.4427 9.1506 9.1506 9.5487 9.5487 k = 0.1818 0.4459 0.2088 ( 5088 PWs) bands (ev): -14.1749 -14.1749 -14.1638 -14.1638 -9.0815 -9.0815 -9.0810 -9.0810 -6.7515 -6.7515 -6.7333 -6.7333 -1.3724 -1.3724 -1.1788 -1.1788 0.6380 0.6380 0.8328 0.8328 0.9709 0.9709 1.0444 1.0444 2.7318 2.7318 2.8537 2.8537 3.9967 3.9967 4.0839 4.0839 5.2579 5.2579 5.4540 5.4540 6.8700 6.8700 6.9621 6.9621 8.1319 8.1319 8.3981 8.3981 9.0894 9.0894 9.4772 9.4772 k = 0.1705 0.4459 0.2088 ( 5088 PWs) bands (ev): -14.1937 -14.1937 -14.1830 -14.1830 -9.0974 -9.0974 -9.0969 -9.0969 -6.6864 -6.6864 -6.6695 -6.6695 -1.3527 -1.3527 -1.1607 -1.1607 0.6547 0.6547 0.7982 0.7982 0.9354 0.9354 1.0620 1.0620 2.7539 2.7539 2.8741 2.8741 3.9924 3.9924 4.0842 4.0842 5.2508 5.2508 5.4462 5.4462 6.9152 6.9152 7.0066 7.0066 8.0963 8.0963 8.3503 8.3503 9.0339 9.0339 9.4075 9.4075 k = 0.1591 0.4459 0.2088 ( 5100 PWs) bands (ev): -14.2115 -14.2115 -14.2014 -14.2014 -9.1127 -9.1127 -9.1121 -9.1121 -6.6235 -6.6235 -6.6078 -6.6078 -1.3298 -1.3298 -1.1396 -1.1396 0.6298 0.6298 0.7366 0.7366 0.9367 0.9367 1.0998 1.0998 2.7828 2.7828 2.8996 2.8996 3.9879 3.9879 4.0844 4.0844 5.2398 5.2398 5.4338 5.4338 6.9600 6.9600 7.0503 7.0503 8.0605 8.0605 8.2985 8.2985 8.9856 8.9856 9.3407 9.3407 k = 0.1477 0.4459 0.2088 ( 5096 PWs) bands (ev): -14.2283 -14.2283 -14.2188 -14.2188 -9.1271 -9.1271 -9.1265 -9.1265 -6.5631 -6.5631 -6.5487 -6.5487 -1.3037 -1.3037 -1.1156 -1.1156 0.5732 0.5732 0.6649 0.6649 0.9647 0.9647 1.1409 1.1409 2.8188 2.8188 2.9302 2.9302 3.9833 3.9833 4.0843 4.0843 5.2255 5.2255 5.4172 5.4172 7.0038 7.0038 7.0924 7.0924 8.0241 8.0241 8.2427 8.2427 8.9455 8.9455 9.2778 9.2778 k = 0.1364 0.4459 0.2088 ( 5088 PWs) bands (ev): -14.2440 -14.2440 -14.2351 -14.2351 -9.1407 -9.1407 -9.1401 -9.1401 -6.5056 -6.5056 -6.4924 -6.4924 -1.2744 -1.2744 -1.0887 -1.0887 0.5012 0.5012 0.5889 0.5889 1.0030 1.0030 1.1792 1.1792 2.8614 2.8614 2.9655 2.9655 3.9787 3.9787 4.0841 4.0841 5.2083 5.2083 5.3969 5.3969 7.0454 7.0454 7.1318 7.1318 7.9875 7.9875 8.1835 8.1835 8.9137 8.9137 9.2197 9.2197 k = 0.1250 0.4459 0.2088 ( 5092 PWs) bands (ev): -14.2587 -14.2587 -14.2504 -14.2504 -9.1534 -9.1534 -9.1528 -9.1528 -6.4512 -6.4512 -6.4392 -6.4392 -1.2418 -1.2418 -1.0589 -1.0589 0.4227 0.4227 0.5110 0.5110 1.0432 1.0432 1.2127 1.2127 2.9101 2.9101 3.0051 3.0051 3.9742 3.9742 4.0836 4.0836 5.1890 5.1890 5.3734 5.3734 7.0842 7.0842 7.1678 7.1678 7.9508 7.9508 8.1225 8.1225 8.8899 8.8899 9.1671 9.1671 k = 0.1136 0.4459 0.2088 ( 5092 PWs) bands (ev): -14.2722 -14.2722 -14.2645 -14.2645 -9.1652 -9.1652 -9.1646 -9.1646 -6.4003 -6.4003 -6.3896 -6.3896 -1.2059 -1.2059 -1.0263 -1.0263 0.3414 0.3414 0.4323 0.4323 1.0817 1.0817 1.2407 1.2407 2.9638 2.9638 3.0482 3.0482 3.9699 3.9699 4.0828 4.0828 5.1682 5.1682 5.3472 5.3472 7.1190 7.1190 7.1993 7.1993 7.9149 7.9149 8.0613 8.0613 8.8734 8.8734 9.1203 9.1203 k = 0.1023 0.4459 0.2088 ( 5108 PWs) bands (ev): -14.2844 -14.2844 -14.2775 -14.2775 -9.1759 -9.1759 -9.1754 -9.1754 -6.3532 -6.3532 -6.3437 -6.3437 -1.1669 -1.1669 -0.9912 -0.9912 0.2594 0.2594 0.3536 0.3536 1.1173 1.1173 1.2634 1.2634 3.0214 3.0214 3.0939 3.0939 3.9661 3.9661 4.0815 4.0815 5.1466 5.1466 5.3188 5.3188 7.1493 7.1493 7.2256 7.2256 7.8807 7.8807 8.0023 8.0023 8.8631 8.8631 9.0795 9.0795 k = 0.0909 0.4459 0.2088 ( 5100 PWs) bands (ev): -14.2955 -14.2955 -14.2893 -14.2893 -9.1857 -9.1857 -9.1851 -9.1851 -6.3102 -6.3102 -6.3019 -6.3019 -1.1247 -1.1247 -0.9539 -0.9539 0.1781 0.1781 0.2755 0.2755 1.1494 1.1494 1.2810 1.2810 3.0811 3.0811 3.1412 3.1412 3.9630 3.9630 4.0796 4.0796 5.1249 5.1249 5.2885 5.2885 7.1742 7.1742 7.2457 7.2457 7.8492 7.8492 7.9476 7.9476 8.8579 8.8579 9.0445 9.0445 k = 0.0795 0.4459 0.2088 ( 5096 PWs) bands (ev): -14.3052 -14.3052 -14.2998 -14.2998 -9.1943 -9.1943 -9.1938 -9.1938 -6.2715 -6.2715 -6.2644 -6.2644 -1.0798 -1.0798 -0.9151 -0.9151 0.0989 0.0989 0.1986 0.1986 1.1779 1.1779 1.2940 1.2940 3.1412 3.1412 3.1885 3.1885 3.9609 3.9609 4.0766 4.0766 5.1042 5.1042 5.2571 5.2571 7.1935 7.1935 7.2593 7.2593 7.8215 7.8215 7.8989 7.8989 8.8568 8.8568 9.0148 9.0148 k = 0.0682 0.4459 0.2088 ( 5092 PWs) bands (ev): -14.3137 -14.3137 -14.3090 -14.3090 -9.2019 -9.2019 -9.2015 -9.2015 -6.2374 -6.2374 -6.2315 -6.2315 -1.0324 -1.0324 -0.8756 -0.8756 0.0229 0.0229 0.1236 0.1236 1.2029 1.2029 1.3029 1.3029 3.1995 3.1995 3.2346 3.2346 3.9601 3.9601 4.0723 4.0723 5.0854 5.0854 5.2250 5.2250 7.2072 7.2072 7.2661 7.2661 7.7986 7.7986 7.8578 7.8578 8.8588 8.8588 8.9900 8.9900 k = 0.0568 0.4459 0.2088 ( 5096 PWs) bands (ev): -14.3209 -14.3209 -14.3169 -14.3169 -9.2083 -9.2083 -9.2080 -9.2080 -6.2082 -6.2082 -6.2033 -6.2033 -0.9833 -0.9833 -0.8369 -0.8369 -0.0479 -0.0479 0.0514 0.0514 1.2247 1.2247 1.3083 1.3083 3.2540 3.2540 3.2779 3.2779 3.9613 3.9613 4.0663 4.0663 5.0696 5.0696 5.1930 5.1930 7.2159 7.2159 7.2669 7.2669 7.7807 7.7807 7.8247 7.8247 8.8633 8.8633 8.9693 8.9693 k = 0.0455 0.4459 0.2088 ( 5088 PWs) bands (ev): -14.3267 -14.3267 -14.3235 -14.3235 -9.2136 -9.2136 -9.2133 -9.2133 -6.1839 -6.1839 -6.1800 -6.1800 -0.9332 -0.9332 -0.8013 -0.8013 -0.1110 -0.1110 -0.0169 -0.0169 1.2436 1.2436 1.3105 1.3105 3.3022 3.3022 3.3167 3.3167 3.9648 3.9648 4.0582 4.0582 5.0578 5.0578 5.1620 5.1620 7.2208 7.2208 7.2627 7.2627 7.7679 7.7679 7.7996 7.7996 8.8695 8.8695 8.9519 8.9519 k = 0.0341 0.4459 0.2088 ( 5084 PWs) bands (ev): -14.3311 -14.3311 -14.3287 -14.3287 -9.2178 -9.2178 -9.2175 -9.2175 -6.1648 -6.1648 -6.1619 -6.1619 -0.8838 -0.8838 -0.7722 -0.7722 -0.1629 -0.1629 -0.0797 -0.0797 1.2599 1.2599 1.3100 1.3100 3.3420 3.3420 3.3494 3.3494 3.9712 3.9712 4.0478 4.0478 5.0511 5.0511 5.1328 5.1328 7.2235 7.2235 7.2554 7.2554 7.7596 7.7596 7.7814 7.7814 8.8768 8.8768 8.9373 8.9373 k = 0.0227 0.4459 0.2088 ( 5084 PWs) bands (ev): -14.3342 -14.3342 -14.3326 -14.3326 -9.2207 -9.2207 -9.2206 -9.2206 -6.1509 -6.1509 -6.1490 -6.1490 -0.8371 -0.8371 -0.7541 -0.7541 -0.1987 -0.1987 -0.1347 -0.1347 1.2737 1.2737 1.3071 1.3071 3.3716 3.3716 3.3745 3.3745 3.9806 3.9806 4.0354 4.0354 5.0502 5.0502 5.1066 5.1066 7.2255 7.2255 7.2470 7.2470 7.7552 7.7552 7.7688 7.7688 8.8850 8.8850 8.9247 8.9247 k = 0.0114 0.4459 0.2088 ( 5080 PWs) bands (ev): -14.3358 -14.3358 -14.3350 -14.3350 -9.2225 -9.2225 -9.2224 -9.2224 -6.1424 -6.1424 -6.1414 -6.1414 -0.7964 -0.7964 -0.7515 -0.7515 -0.2138 -0.2138 -0.1784 -0.1784 1.2852 1.2852 1.3019 1.3019 3.3896 3.3896 3.3904 3.3904 3.9927 3.9927 4.0213 4.0213 5.0555 5.0555 5.0843 5.0843 7.2283 7.2283 7.2391 7.2391 7.7541 7.7541 7.7606 7.7606 8.8939 8.8939 8.9135 8.9135 k = 0.0000 0.4459 0.2088 ( 5068 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2230 -9.2230 -9.2230 -9.2230 -6.1392 -6.1392 -6.1392 -6.1392 -0.7664 -0.7664 -0.7664 -0.7664 -0.2063 -0.2063 -0.2063 -0.2063 1.2946 1.2946 1.2946 1.2946 3.3958 3.3958 3.3958 3.3958 4.0067 4.0067 4.0067 4.0067 5.0670 5.0670 5.0670 5.0670 7.2327 7.2327 7.2327 7.2327 7.7559 7.7559 7.7559 7.7559 8.9033 8.9033 8.9033 8.9033 k = 0.0000 0.4459 0.2088 ( 5068 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2230 -9.2230 -9.2230 -9.2230 -6.1392 -6.1392 -6.1392 -6.1392 -0.7664 -0.7664 -0.7664 -0.7664 -0.2063 -0.2063 -0.2063 -0.2063 1.2946 1.2946 1.2946 1.2946 3.3958 3.3958 3.3958 3.3958 4.0067 4.0067 4.0067 4.0067 5.0670 5.0670 5.0670 5.0670 7.2327 7.2327 7.2327 7.2327 7.7559 7.7559 7.7559 7.7559 8.9033 8.9033 8.9033 8.9033 k = 0.0000 0.4345 0.2088 ( 5072 PWs) bands (ev): -14.3991 -14.3991 -14.2726 -14.2726 -9.2458 -9.2458 -9.2006 -9.2006 -6.1854 -6.1854 -6.0906 -6.0906 -0.8277 -0.8277 -0.7061 -0.7061 -0.2963 -0.2963 -0.1149 -0.1149 1.2582 1.2582 1.3320 1.3320 3.3846 3.3846 3.4090 3.4090 3.9949 3.9949 4.0180 4.0180 5.0262 5.0262 5.1026 5.1026 7.1482 7.1482 7.3165 7.3165 7.6722 7.6722 7.8392 7.8392 8.8609 8.8609 8.9462 8.9462 k = 0.0000 0.4230 0.2088 ( 5072 PWs) bands (ev): -14.4615 -14.4615 -14.2086 -14.2086 -9.2689 -9.2689 -9.1787 -9.1787 -6.2291 -6.2291 -6.0397 -6.0397 -0.8893 -0.8893 -0.6492 -0.6492 -0.3822 -0.3822 -0.0229 -0.0229 1.2229 1.2229 1.3702 1.3702 3.3754 3.3754 3.4241 3.4241 3.9828 3.9828 4.0290 4.0290 4.9806 4.9806 5.1326 5.1326 7.0639 7.0639 7.3984 7.3984 7.5893 7.5893 7.9218 7.9218 8.8192 8.8192 8.9893 8.9893 k = 0.0000 0.4116 0.2088 ( 5062 PWs) bands (ev): -14.5231 -14.5231 -14.1442 -14.1442 -9.2921 -9.2921 -9.1573 -9.1573 -6.2704 -6.2704 -5.9865 -5.9865 -0.9508 -0.9508 -0.6067 -0.6067 -0.4531 -0.4531 0.0693 0.0693 1.1889 1.1889 1.4091 1.4091 3.3682 3.3682 3.4411 3.4411 3.9703 3.9703 4.0395 4.0395 4.9303 4.9303 5.1566 5.1566 6.9807 6.9807 7.4698 7.4698 7.5156 7.5156 8.0031 8.0031 8.7781 8.7781 9.0328 9.0328 k = 0.0000 0.4002 0.2088 ( 5076 PWs) bands (ev): -14.5838 -14.5838 -14.0796 -14.0796 -9.3155 -9.3155 -9.1365 -9.1365 -6.3093 -6.3093 -5.9310 -5.9310 -1.0122 -1.0122 -0.6222 -0.6222 -0.4652 -0.4652 0.1612 0.1612 1.1564 1.1564 1.4487 1.4487 3.3631 3.3631 3.4598 3.4598 3.9575 3.9575 4.0495 4.0495 4.8757 4.8757 5.1742 5.1742 6.8995 6.8995 7.4190 7.4190 7.5624 7.5624 8.0830 8.0830 8.7379 8.7379 9.0763 9.0763 k = 0.0000 0.3887 0.2088 ( 5072 PWs) bands (ev): -14.6437 -14.6437 -14.0149 -14.0149 -9.3390 -9.3390 -9.1163 -9.1163 -6.3457 -6.3457 -5.8733 -5.8733 -1.0734 -1.0734 -0.6929 -0.6929 -0.4212 -0.4212 0.2524 0.2524 1.1258 1.1258 1.4888 1.4888 3.3600 3.3600 3.4801 3.4801 3.9443 3.9443 4.0589 4.0589 4.8170 4.8170 5.1847 5.1847 6.8212 6.8212 7.3402 7.3402 7.6357 7.6357 8.1611 8.1611 8.6988 8.6988 9.1198 9.1198 k = 0.0000 0.3773 0.2088 ( 5084 PWs) bands (ev): -14.7025 -14.7025 -13.9503 -13.9503 -9.3623 -9.3623 -9.0968 -9.0968 -6.3797 -6.3797 -5.8134 -5.8134 -1.1345 -1.1345 -0.7763 -0.7763 -0.3637 -0.3637 0.3424 0.3424 1.0974 1.0974 1.5292 1.5292 3.3590 3.3590 3.5020 3.5020 3.9309 3.9309 4.0677 4.0677 4.7547 4.7547 5.1875 5.1875 6.7469 6.7469 7.2628 7.2628 7.7059 7.7059 8.2375 8.2375 8.6609 8.6609 9.1632 9.1632 k = 0.0000 0.3659 0.2088 ( 5086 PWs) bands (ev): -14.7602 -14.7602 -13.8857 -13.8857 -9.3855 -9.3855 -9.0781 -9.0781 -6.4112 -6.4112 -5.7514 -5.7514 -1.1955 -1.1955 -0.8618 -0.8618 -0.3029 -0.3029 0.4303 0.4303 1.0721 1.0721 1.5700 1.5700 3.3599 3.3599 3.5251 3.5251 3.9172 3.9172 4.0759 4.0759 4.6892 4.6892 5.1821 5.1821 6.6774 6.6774 7.1881 7.1881 7.7716 7.7716 8.3121 8.3121 8.6243 8.6243 9.2064 9.2064 k = 0.0000 0.3544 0.2088 ( 5094 PWs) bands (ev): -14.8168 -14.8168 -13.8215 -13.8215 -9.4084 -9.4084 -9.0601 -9.0601 -6.4404 -6.4404 -5.6875 -5.6875 -1.2567 -1.2567 -0.9470 -0.9470 -0.2410 -0.2410 0.5148 0.5148 1.0510 1.0510 1.6110 1.6110 3.3626 3.3626 3.5495 3.5495 3.9031 3.9031 4.0831 4.0831 4.6211 4.6211 5.1676 5.1676 6.6138 6.6138 7.1169 7.1169 7.8318 7.8318 8.3849 8.3849 8.5893 8.5893 9.2493 9.2493 k = 0.0000 0.3430 0.2088 ( 5088 PWs) bands (ev): -14.8722 -14.8722 -13.7576 -13.7576 -9.4309 -9.4309 -9.0430 -9.0430 -6.4671 -6.4671 -5.6217 -5.6217 -1.3184 -1.3184 -1.0308 -1.0308 -0.1789 -0.1789 0.5937 0.5937 1.0364 1.0364 1.6520 1.6520 3.3672 3.3672 3.5748 3.5748 3.8886 3.8886 4.0892 4.0892 4.5512 4.5512 5.1438 5.1438 6.5568 6.5568 7.0497 7.0497 7.8860 7.8860 8.4560 8.4560 8.5562 8.5562 9.2918 9.2918 k = 0.0000 0.3316 0.2088 ( 5090 PWs) bands (ev): -14.9263 -14.9263 -13.6942 -13.6942 -9.4530 -9.4530 -9.0267 -9.0267 -6.4913 -6.4913 -5.5541 -5.5541 -1.3811 -1.3811 -1.1124 -1.1124 -0.1171 -0.1171 0.6632 0.6632 1.0320 1.0320 1.6930 1.6930 3.3734 3.3734 3.6006 3.6006 3.8737 3.8737 4.0936 4.0936 4.4809 4.4809 5.1103 5.1103 6.5067 6.5067 6.9869 6.9869 7.9333 7.9333 8.5240 8.5240 8.5267 8.5267 9.3339 9.3339 k = 0.0000 0.3201 0.2088 ( 5086 PWs) bands (ev): -14.9790 -14.9790 -13.6316 -13.6316 -9.4745 -9.4745 -9.0112 -9.0112 -6.5132 -6.5132 -5.4848 -5.4848 -1.4451 -1.4451 -1.1909 -1.1909 -0.0557 -0.0557 0.7174 0.7174 1.0436 1.0436 1.7337 1.7337 3.3811 3.3811 3.6268 3.6268 3.8582 3.8582 4.0953 4.0953 4.4118 4.4118 5.0675 5.0675 6.4639 6.4639 6.9291 6.9291 7.9734 7.9734 8.4964 8.4964 8.5938 8.5938 9.3755 9.3755 k = 0.0000 0.3087 0.2088 ( 5090 PWs) bands (ev): -15.0304 -15.0304 -13.5698 -13.5698 -9.4953 -9.4953 -8.9965 -8.9965 -6.5328 -6.5328 -5.4141 -5.4141 -1.5112 -1.5112 -1.2656 -1.2656 0.0049 0.0049 0.7514 0.7514 1.0759 1.0759 1.7740 1.7740 3.3901 3.3901 3.6525 3.6525 3.8419 3.8419 4.0925 4.0925 4.3473 4.3473 5.0157 5.0157 6.4280 6.4280 6.8766 6.8766 8.0057 8.0057 8.4703 8.4703 8.6606 8.6606 9.4166 9.4166 k = 0.0000 0.2973 0.2088 ( 5094 PWs) bands (ev): -15.0802 -15.0802 -13.5089 -13.5089 -9.5155 -9.5155 -8.9828 -8.9828 -6.5499 -6.5499 -5.3420 -5.3420 -1.5797 -1.5797 -1.3359 -1.3359 0.0645 0.0645 0.7662 0.7662 1.1279 1.1279 1.8138 1.8138 3.4002 3.4002 3.6769 3.6769 3.8246 3.8246 4.0817 4.0817 4.2921 4.2921 4.9560 4.9560 6.3984 6.3984 6.8296 6.8296 8.0299 8.0299 8.4470 8.4470 8.7263 8.7263 9.4571 9.4571 k = 0.0000 0.2858 0.2088 ( 5102 PWs) bands (ev): -15.1286 -15.1286 -13.4492 -13.4492 -9.5349 -9.5349 -8.9698 -8.9698 -6.5648 -6.5648 -5.2688 -5.2688 -1.6509 -1.6509 -1.4015 -1.4015 0.1229 0.1229 0.7681 0.7681 1.1932 1.1932 1.8528 1.8528 3.4112 3.4112 3.6979 3.6979 3.8065 3.8065 4.0592 4.0592 4.2527 4.2527 4.8896 4.8896 6.3742 6.3742 6.7886 6.7886 8.0460 8.0460 8.4264 8.4264 8.7908 8.7908 9.4971 9.4971 k = 0.0000 0.2744 0.2088 ( 5112 PWs) bands (ev): -15.1754 -15.1754 -13.3907 -13.3907 -9.5534 -9.5534 -8.9577 -8.9577 -6.5774 -6.5774 -5.1946 -5.1946 -1.7246 -1.7246 -1.4623 -1.4623 0.1797 0.1797 0.7634 0.7634 1.2654 1.2654 1.8909 1.8909 3.4226 3.4226 3.7104 3.7104 3.7896 3.7896 4.0259 4.0259 4.2311 4.2311 4.8183 4.8183 6.3544 6.3544 6.7538 6.7538 8.0543 8.0543 8.4085 8.4085 8.8541 8.8541 9.5364 9.5364 k = 0.0000 0.2630 0.2088 ( 5118 PWs) bands (ev): -15.2206 -15.2206 -13.3336 -13.3336 -9.5709 -9.5709 -8.9464 -8.9464 -6.5877 -6.5877 -5.1197 -5.1197 -1.8005 -1.8005 -1.5186 -1.5186 0.2347 0.2347 0.7560 0.7560 1.3404 1.3404 1.9279 1.9279 3.4342 3.4342 3.7034 3.7034 3.7810 3.7810 3.9906 3.9906 4.2233 4.2233 4.7436 4.7436 6.3378 6.3378 6.7254 6.7254 8.0556 8.0556 8.3925 8.3925 8.9161 8.9161 9.5751 9.5751 k = 0.0000 0.2515 0.2088 ( 5118 PWs) bands (ev): -15.2642 -15.2642 -13.2781 -13.2781 -9.5875 -9.5875 -8.9358 -8.9358 -6.5958 -6.5958 -5.0442 -5.0442 -1.8779 -1.8779 -1.5708 -1.5708 0.2874 0.2874 0.7483 0.7483 1.4158 1.4158 1.9636 1.9636 3.4454 3.4454 3.6721 3.6721 3.7816 3.7816 3.9629 3.9629 4.2238 4.2238 4.6675 4.6675 6.3233 6.3233 6.7036 6.7036 8.0509 8.0509 8.3777 8.3777 8.9768 8.9768 9.6131 9.6131 k = 0.0000 0.2401 0.2088 ( 5120 PWs) bands (ev): -15.3060 -15.3060 -13.2242 -13.2242 -9.6031 -9.6031 -8.9261 -8.9261 -6.6018 -6.6018 -4.9684 -4.9684 -1.9562 -1.9562 -1.6194 -1.6194 0.3372 0.3372 0.7419 0.7419 1.4899 1.4899 1.9978 1.9978 3.4556 3.4556 3.6248 3.6248 3.7813 3.7813 3.9480 3.9480 4.2296 4.2296 4.5920 4.5920 6.3100 6.3100 6.6884 6.6884 8.0414 8.0414 8.3633 8.3633 9.0361 9.0361 9.6504 9.6504 k = 0.0000 0.2287 0.2088 ( 5116 PWs) bands (ev): -15.3462 -15.3462 -13.1722 -13.1722 -9.6177 -9.6177 -8.9171 -8.9171 -6.6058 -6.6058 -4.8926 -4.8926 -2.0348 -2.0348 -1.6647 -1.6647 0.3835 0.3835 0.7383 0.7383 1.5615 1.5615 2.0302 2.0302 3.4632 3.4632 3.5694 3.5694 3.7759 3.7759 3.9446 3.9446 4.2393 4.2393 4.5193 4.5193 6.2973 6.2973 6.6796 6.6796 8.0280 8.0280 8.3483 8.3483 9.0939 9.0939 9.6871 9.6871 k = 0.0000 0.2172 0.2088 ( 5112 PWs) bands (ev): -15.3846 -15.3846 -13.1220 -13.1220 -9.6312 -9.6312 -8.9088 -8.9088 -6.6077 -6.6077 -4.8170 -4.8170 -2.1132 -2.1132 -1.7071 -1.7071 0.4254 0.4254 0.7384 0.7384 1.6294 1.6294 2.0606 2.0606 3.4625 3.4625 3.5157 3.5157 3.7661 3.7661 3.9482 3.9482 4.2523 4.2523 4.4516 4.4516 6.2848 6.2848 6.6768 6.6768 8.0120 8.0120 8.3322 8.3322 9.1500 9.1500 9.7229 9.7229 k = 0.0000 0.2058 0.2088 ( 5116 PWs) bands (ev): -15.4212 -15.4212 -13.0740 -13.0740 -9.6436 -9.6436 -8.9011 -8.9011 -6.6077 -6.6077 -4.7420 -4.7420 -2.1910 -2.1910 -1.7468 -1.7468 0.4619 0.4619 0.7436 0.7436 1.6927 1.6927 2.0890 2.0890 3.4277 3.4277 3.4918 3.4918 3.7536 3.7536 3.9541 3.9541 4.2685 4.2685 4.3910 4.3910 6.2723 6.2723 6.6797 6.6797 7.9938 7.9938 8.3145 8.3145 9.2042 9.2042 9.7580 9.7580 k = 0.0000 0.1944 0.2088 ( 5116 PWs) bands (ev): -15.4560 -15.4560 -13.0281 -13.0281 -9.6550 -9.6550 -8.8942 -8.8942 -6.6060 -6.6060 -4.6678 -4.6678 -2.2676 -2.2676 -1.7840 -1.7840 0.4924 0.4924 0.7546 0.7546 1.7503 1.7503 2.1150 2.1150 3.3698 3.3698 3.4881 3.4881 3.7398 3.7398 3.9597 3.9597 4.2877 4.2877 4.3396 4.3396 6.2598 6.2598 6.6875 6.6875 7.9743 7.9743 8.2951 8.2951 9.2565 9.2565 9.7923 9.7923 k = 0.0000 0.1829 0.2088 ( 5106 PWs) bands (ev): -15.4889 -15.4889 -12.9844 -12.9844 -9.6653 -9.6653 -8.8878 -8.8878 -6.6026 -6.6026 -4.5948 -4.5948 -2.3428 -2.3428 -1.8189 -1.8189 0.5165 0.5165 0.7717 0.7717 1.8011 1.8011 2.1385 2.1385 3.3103 3.3103 3.4839 3.4839 3.7256 3.7256 3.9637 3.9637 4.2950 4.2950 4.3130 4.3130 6.2475 6.2475 6.6998 6.6998 7.9536 7.9536 8.2738 8.2738 9.3067 9.3067 9.8258 9.8258 k = 0.0000 0.1715 0.2088 ( 5100 PWs) bands (ev): -15.5199 -15.5199 -12.9431 -12.9431 -9.6746 -9.6746 -8.8821 -8.8821 -6.5977 -6.5977 -4.5234 -4.5234 -2.4162 -2.4162 -1.8514 -1.8514 0.5350 0.5350 0.7942 0.7942 1.8441 1.8441 2.1594 2.1594 3.2531 3.2531 3.4759 3.4759 3.7118 3.7118 3.9665 3.9665 4.2648 4.2648 4.3364 4.3364 6.2354 6.2354 6.7158 6.7158 7.9321 7.9321 8.2509 8.2509 9.3547 9.3547 9.8583 9.8583 k = 0.0000 0.1601 0.2088 ( 5104 PWs) bands (ev): -15.5491 -15.5491 -12.9043 -12.9043 -9.6829 -9.6829 -8.8769 -8.8769 -6.5914 -6.5914 -4.4540 -4.4540 -2.4874 -2.4874 -1.8818 -1.8818 0.5492 0.5492 0.8208 0.8208 1.8782 1.8782 2.1777 2.1777 3.1997 3.1997 3.4639 3.4639 3.6992 3.6992 3.9690 3.9690 4.2418 4.2418 4.3634 4.3634 6.2236 6.2236 6.7350 6.7350 7.9098 7.9098 8.2267 8.2267 9.4002 9.4002 9.8900 9.8900 k = 0.0000 0.1486 0.2088 ( 5116 PWs) bands (ev): -15.5763 -15.5763 -12.8679 -12.8679 -9.6902 -9.6902 -8.8722 -8.8722 -6.5840 -6.5840 -4.3868 -4.3868 -2.5560 -2.5560 -1.9099 -1.9099 0.5607 0.5607 0.8498 0.8498 1.9027 1.9027 2.1933 2.1933 3.1507 3.1507 3.4490 3.4490 3.6883 3.6883 3.9724 3.9724 4.2257 4.2257 4.3921 4.3921 6.2124 6.2124 6.7569 6.7569 7.8868 7.8868 8.2015 8.2015 9.4432 9.4432 9.9206 9.9206 k = 0.0000 0.1372 0.2088 ( 5116 PWs) bands (ev): -15.6016 -15.6016 -12.8341 -12.8341 -9.6966 -9.6966 -8.8680 -8.8680 -6.5756 -6.5756 -4.3224 -4.3224 -2.6217 -2.6217 -1.9360 -1.9360 0.5707 0.5707 0.8800 0.8800 1.9170 1.9170 2.2061 2.2061 3.1066 3.1066 3.4329 3.4329 3.6792 3.6792 3.9776 3.9776 4.2145 4.2145 4.4217 4.4217 6.2017 6.2017 6.7812 6.7812 7.8630 7.8630 8.1758 8.1758 9.4834 9.4834 9.9502 9.9502 k = 0.0000 0.1258 0.2088 ( 5106 PWs) bands (ev): -15.6250 -15.6250 -12.8029 -12.8029 -9.7022 -9.7022 -8.8643 -8.8643 -6.5665 -6.5665 -4.2611 -4.2611 -2.6841 -2.6841 -1.9599 -1.9599 0.5802 0.5802 0.9102 0.9102 1.9212 1.9212 2.2161 2.2161 3.0676 3.0676 3.4176 3.4176 3.6716 3.6716 3.9847 3.9847 4.2067 4.2067 4.4516 4.4516 6.1916 6.1916 6.8072 6.8072 7.8384 7.8384 8.1501 8.1501 9.5208 9.5208 9.9785 9.9785 k = 0.0000 0.1143 0.2088 ( 5112 PWs) bands (ev): -15.6464 -15.6464 -12.7744 -12.7744 -9.7071 -9.7071 -8.8610 -8.8610 -6.5569 -6.5569 -4.2033 -4.2033 -2.7428 -2.7428 -1.9817 -1.9817 0.5897 0.5897 0.9398 0.9398 1.9158 1.9158 2.2232 2.2232 3.0337 3.0337 3.4048 3.4048 3.6654 3.6654 3.9936 3.9936 4.2011 4.2011 4.4811 4.4811 6.1822 6.1822 6.8347 6.8347 7.8128 7.8128 8.1251 8.1251 9.5551 9.5551 10.0056 10.0056 k = 0.0000 0.1029 0.2088 ( 5116 PWs) bands (ev): -15.6657 -15.6657 -12.7485 -12.7485 -9.7112 -9.7112 -8.8581 -8.8581 -6.5471 -6.5471 -4.1495 -4.1495 -2.7974 -2.7974 -2.0014 -2.0014 0.5995 0.5995 0.9681 0.9681 1.9022 1.9022 2.2276 2.2276 3.0046 3.0046 3.3953 3.3953 3.6601 3.6601 4.0042 4.0042 4.1968 4.1968 4.5097 4.5097 6.1735 6.1735 6.8632 6.8632 7.7864 7.7864 8.1013 8.1013 9.5864 9.5864 10.0311 10.0311 k = 0.0000 0.0915 0.2088 ( 5112 PWs) bands (ev): -15.6831 -15.6831 -12.7254 -12.7254 -9.7146 -9.7146 -8.8555 -8.8555 -6.5373 -6.5373 -4.1001 -4.1001 -2.8476 -2.8476 -2.0190 -2.0190 0.6097 0.6097 0.9949 0.9949 1.8817 1.8817 2.2296 2.2296 2.9802 2.9802 3.3895 3.3895 3.6555 3.6555 4.0158 4.0158 4.1933 4.1933 4.5370 4.5370 6.1656 6.1656 6.8922 6.8922 7.7592 7.7592 8.0792 8.0792 9.6145 9.6145 10.0550 10.0550 k = 0.0000 0.0800 0.2088 ( 5108 PWs) bands (ev): -15.6985 -15.6985 -12.7049 -12.7049 -9.7175 -9.7175 -8.8534 -8.8534 -6.5278 -6.5278 -4.0554 -4.0554 -2.8929 -2.8929 -2.0346 -2.0346 0.6202 0.6202 1.0198 1.0198 1.8563 1.8563 2.2294 2.2294 2.9601 2.9601 3.3871 3.3871 3.6517 3.6517 4.0280 4.0280 4.1903 4.1903 4.5623 4.5623 6.1585 6.1585 6.9212 6.9212 7.7315 7.7315 8.0592 8.0592 9.6394 9.6394 10.0769 10.0769 k = 0.0000 0.0686 0.2088 ( 5104 PWs) bands (ev): -15.7118 -15.7118 -12.6872 -12.6872 -9.7198 -9.7198 -8.8515 -8.8515 -6.5190 -6.5190 -4.0158 -4.0158 -2.9330 -2.9330 -2.0480 -2.0480 0.6307 0.6307 1.0425 1.0425 1.8280 1.8280 2.2278 2.2278 2.9439 2.9439 3.3873 3.3873 3.6484 3.6484 4.0404 4.0404 4.1873 4.1873 4.5852 4.5852 6.1522 6.1522 6.9497 6.9497 7.7039 7.7039 8.0417 8.0417 9.6610 9.6610 10.0967 10.0967 k = 0.0000 0.0572 0.2088 ( 5110 PWs) bands (ev): -15.7231 -15.7231 -12.6722 -12.6722 -9.7217 -9.7217 -8.8500 -8.8500 -6.5109 -6.5109 -3.9817 -3.9817 -2.9676 -2.9676 -2.0594 -2.0594 0.6408 0.6408 1.0628 1.0628 1.7990 1.7990 2.2251 2.2251 2.9311 2.9311 3.3893 3.3893 3.6456 3.6456 4.0523 4.0523 4.1844 4.1844 4.6054 4.6054 6.1468 6.1468 6.9768 6.9768 7.6772 7.6772 8.0268 8.0268 9.6792 9.6792 10.1140 10.1140 k = 0.0000 0.0457 0.2088 ( 5112 PWs) bands (ev): -15.7323 -15.7323 -12.6599 -12.6599 -9.7231 -9.7231 -8.8488 -8.8488 -6.5040 -6.5040 -3.9534 -3.9534 -2.9964 -2.9964 -2.0687 -2.0687 0.6501 0.6501 1.0804 1.0804 1.7714 1.7714 2.2221 2.2221 2.9213 2.9213 3.3922 3.3922 3.6434 3.6434 4.0634 4.0634 4.1815 4.1815 4.6224 4.6224 6.1422 6.1422 7.0015 7.0015 7.6523 7.6523 8.0146 8.0146 9.6942 9.6942 10.1286 10.1286 k = 0.0000 0.0343 0.2088 ( 5120 PWs) bands (ev): -15.7395 -15.7395 -12.6504 -12.6504 -9.7242 -9.7242 -8.8478 -8.8478 -6.4983 -6.4983 -3.9310 -3.9310 -3.0190 -3.0190 -2.0760 -2.0760 0.6581 0.6581 1.0948 1.0948 1.7472 1.7472 2.2191 2.2191 2.9141 2.9141 3.3954 3.3954 3.6416 3.6416 4.0729 4.0729 4.1787 4.1787 4.6360 4.6360 6.1387 6.1387 7.0228 7.0228 7.6307 7.6307 8.0051 8.0051 9.7058 9.7058 10.1402 10.1402 k = 0.0000 0.0229 0.2088 ( 5120 PWs) bands (ev): -15.7447 -15.7447 -12.6436 -12.6436 -9.7249 -9.7249 -8.8472 -8.8472 -6.4941 -6.4941 -3.9150 -3.9150 -3.0354 -3.0354 -2.0811 -2.0811 0.6642 0.6642 1.1057 1.1057 1.7284 1.7284 2.2167 2.2167 2.9092 2.9092 3.3981 3.3981 3.6404 3.6404 4.0805 4.0805 4.1763 4.1763 4.6459 4.6459 6.1361 6.1361 7.0394 7.0394 7.6138 7.6138 7.9984 7.9984 9.7141 9.7141 10.1487 10.1487 k = 0.0000 0.0114 0.2088 ( 5120 PWs) bands (ev): -15.7478 -15.7478 -12.6395 -12.6395 -9.7254 -9.7254 -8.8468 -8.8468 -6.4916 -6.4916 -3.9052 -3.9052 -3.0452 -3.0452 -2.0842 -2.0842 0.6681 0.6681 1.1124 1.1124 1.7164 1.7164 2.2151 2.2151 2.9063 2.9063 3.3999 3.3999 3.6396 3.6396 4.0853 4.0853 4.1746 4.1746 4.6519 4.6519 6.1345 6.1345 7.0500 7.0500 7.6029 7.6029 7.9944 7.9944 9.7191 9.7191 10.1539 10.1539 k = 0.0000 0.0000 0.2088 ( 5128 PWs) bands (ev): -15.7488 -15.7488 -12.6381 -12.6381 -9.7255 -9.7255 -8.8467 -8.8467 -6.4907 -6.4907 -3.9020 -3.9020 -3.0485 -3.0485 -2.0853 -2.0853 0.6694 0.6694 1.1147 1.1147 1.7122 1.7122 2.2145 2.2145 2.9054 2.9054 3.4005 3.4005 3.6394 3.6394 4.0870 4.0870 4.1740 4.1740 4.6539 4.6539 6.1340 6.1340 7.0536 7.0536 7.5991 7.5991 7.9931 7.9931 9.7207 9.7207 10.1556 10.1556 k = 0.0000 0.4459-0.0000 ( 5070 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2221 -9.2221 -9.2221 -9.2221 -6.1415 -6.1415 -6.1415 -6.1415 -0.7683 -0.7683 -0.7683 -0.7683 -0.2515 -0.2515 -0.2515 -0.2515 1.4358 1.4358 1.4358 1.4358 3.3276 3.3276 3.3276 3.3276 4.0106 4.0106 4.0106 4.0106 4.9555 4.9555 4.9555 4.9555 7.1628 7.1628 7.1628 7.1628 7.9205 7.9205 7.9205 7.9205 8.9051 8.9051 8.9051 8.9051 k = 0.0000 0.4459 0.0110 ( 5066 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2221 -9.2221 -9.2221 -9.2221 -6.1415 -6.1415 -6.1415 -6.1415 -0.7683 -0.7683 -0.7683 -0.7683 -0.2513 -0.2513 -0.2513 -0.2513 1.4348 1.4348 1.4348 1.4348 3.3281 3.3281 3.3281 3.3281 4.0106 4.0106 4.0106 4.0106 4.9563 4.9563 4.9563 4.9563 7.1631 7.1631 7.1631 7.1631 7.9196 7.9196 7.9196 7.9196 8.9051 8.9051 8.9051 8.9051 k = 0.0000 0.4459 0.0220 ( 5072 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2221 -9.2221 -9.2221 -9.2221 -6.1414 -6.1414 -6.1414 -6.1414 -0.7682 -0.7682 -0.7682 -0.7682 -0.2504 -0.2504 -0.2504 -0.2504 1.4318 1.4318 1.4318 1.4318 3.3297 3.3297 3.3297 3.3297 4.0105 4.0105 4.0105 4.0105 4.9585 4.9585 4.9585 4.9585 7.1642 7.1642 7.1642 7.1642 7.9167 7.9167 7.9167 7.9167 8.9050 8.9050 8.9050 8.9050 k = 0.0000 0.4459 0.0330 ( 5076 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2221 -9.2221 -9.2221 -9.2221 -6.1414 -6.1414 -6.1414 -6.1414 -0.7682 -0.7682 -0.7682 -0.7682 -0.2490 -0.2490 -0.2490 -0.2490 1.4271 1.4271 1.4271 1.4271 3.3321 3.3321 3.3321 3.3321 4.0104 4.0104 4.0104 4.0104 4.9620 4.9620 4.9620 4.9620 7.1659 7.1659 7.1659 7.1659 7.9119 7.9119 7.9119 7.9119 8.9050 8.9050 8.9050 8.9050 k = 0.0000 0.4459 0.0439 ( 5088 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2222 -9.2222 -9.2222 -9.2222 -6.1413 -6.1413 -6.1413 -6.1413 -0.7681 -0.7681 -0.7681 -0.7681 -0.2470 -0.2470 -0.2470 -0.2470 1.4206 1.4206 1.4206 1.4206 3.3355 3.3355 3.3355 3.3355 4.0102 4.0102 4.0102 4.0102 4.9669 4.9669 4.9669 4.9669 7.1684 7.1684 7.1684 7.1684 7.9053 7.9053 7.9053 7.9053 8.9048 8.9048 8.9048 8.9048 k = 0.0000 0.4459 0.0549 ( 5078 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2222 -9.2222 -9.2222 -9.2222 -6.1411 -6.1411 -6.1411 -6.1411 -0.7680 -0.7680 -0.7680 -0.7680 -0.2446 -0.2446 -0.2446 -0.2446 1.4125 1.4125 1.4125 1.4125 3.3396 3.3396 3.3396 3.3396 4.0100 4.0100 4.0100 4.0100 4.9730 4.9730 4.9730 4.9730 7.1714 7.1714 7.1714 7.1714 7.8971 7.8971 7.8971 7.8971 8.9047 8.9047 8.9047 8.9047 k = 0.0000 0.4459 0.0659 ( 5076 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2223 -9.2223 -9.2223 -9.2223 -6.1410 -6.1410 -6.1410 -6.1410 -0.7678 -0.7678 -0.7678 -0.7678 -0.2418 -0.2418 -0.2418 -0.2418 1.4032 1.4032 1.4032 1.4032 3.3443 3.3443 3.3443 3.3443 4.0097 4.0097 4.0097 4.0097 4.9801 4.9801 4.9801 4.9801 7.1752 7.1752 7.1752 7.1752 7.8874 7.8874 7.8874 7.8874 8.9046 8.9046 8.9046 8.9046 k = 0.0000 0.4459 0.0769 ( 5076 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2224 -9.2224 -9.2224 -9.2224 -6.1408 -6.1408 -6.1408 -6.1408 -0.7677 -0.7677 -0.7677 -0.7677 -0.2386 -0.2386 -0.2386 -0.2386 1.3929 1.3929 1.3929 1.3929 3.3495 3.3495 3.3495 3.3495 4.0094 4.0094 4.0094 4.0094 4.9880 4.9880 4.9880 4.9880 7.1794 7.1794 7.1794 7.1794 7.8763 7.8763 7.8763 7.8763 8.9044 8.9044 8.9044 8.9044 k = 0.0000 0.4459 0.0879 ( 5074 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2224 -9.2224 -9.2224 -9.2224 -6.1406 -6.1406 -6.1406 -6.1406 -0.7675 -0.7675 -0.7675 -0.7675 -0.2352 -0.2352 -0.2352 -0.2352 1.3818 1.3818 1.3818 1.3818 3.3550 3.3550 3.3550 3.3550 4.0091 4.0091 4.0091 4.0091 4.9966 4.9966 4.9966 4.9966 7.1843 7.1843 7.1843 7.1843 7.8642 7.8642 7.8642 7.8642 8.9042 8.9042 8.9042 8.9042 k = 0.0000 0.4459 0.0989 ( 5078 PWs) bands (ev): -14.3362 -14.3362 -14.3362 -14.3362 -9.2225 -9.2225 -9.2225 -9.2225 -6.1404 -6.1404 -6.1404 -6.1404 -0.7674 -0.7674 -0.7674 -0.7674 -0.2315 -0.2315 -0.2315 -0.2315 1.3703 1.3703 1.3703 1.3703 3.3606 3.3606 3.3606 3.3606 4.0088 4.0088 4.0088 4.0088 5.0056 5.0056 5.0056 5.0056 7.1895 7.1895 7.1895 7.1895 7.8513 7.8513 7.8513 7.8513 8.9041 8.9041 8.9041 8.9041 k = 0.0000 0.4459 0.1099 ( 5078 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2226 -9.2226 -9.2226 -9.2226 -6.1403 -6.1403 -6.1403 -6.1403 -0.7672 -0.7672 -0.7672 -0.7672 -0.2278 -0.2278 -0.2278 -0.2278 1.3586 1.3586 1.3586 1.3586 3.3662 3.3662 3.3662 3.3662 4.0085 4.0085 4.0085 4.0085 5.0148 5.0148 5.0148 5.0148 7.1951 7.1951 7.1951 7.1951 7.8379 7.8379 7.8379 7.8379 8.9039 8.9039 8.9039 8.9039 k = 0.0000 0.4459 0.1209 ( 5090 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2227 -9.2227 -9.2227 -9.2227 -6.1401 -6.1401 -6.1401 -6.1401 -0.7671 -0.7671 -0.7671 -0.7671 -0.2241 -0.2241 -0.2241 -0.2241 1.3472 1.3472 1.3472 1.3472 3.3717 3.3717 3.3717 3.3717 4.0081 4.0081 4.0081 4.0081 5.0240 5.0240 5.0240 5.0240 7.2009 7.2009 7.2009 7.2009 7.8243 7.8243 7.8243 7.8243 8.9038 8.9038 8.9038 8.9038 k = 0.0000 0.4459 0.1318 ( 5094 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2228 -9.2228 -9.2228 -9.2228 -6.1399 -6.1399 -6.1399 -6.1399 -0.7669 -0.7669 -0.7669 -0.7669 -0.2205 -0.2205 -0.2205 -0.2205 1.3362 1.3362 1.3362 1.3362 3.3768 3.3768 3.3768 3.3768 4.0078 4.0078 4.0078 4.0078 5.0328 5.0328 5.0328 5.0328 7.2068 7.2068 7.2068 7.2068 7.8109 7.8109 7.8109 7.8109 8.9037 8.9037 8.9037 8.9037 k = 0.0000 0.4459 0.1428 ( 5096 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2228 -9.2228 -9.2228 -9.2228 -6.1397 -6.1397 -6.1397 -6.1397 -0.7668 -0.7668 -0.7668 -0.7668 -0.2171 -0.2171 -0.2171 -0.2171 1.3261 1.3261 1.3261 1.3261 3.3815 3.3815 3.3815 3.3815 4.0075 4.0075 4.0075 4.0075 5.0410 5.0410 5.0410 5.0410 7.2126 7.2126 7.2126 7.2126 7.7981 7.7981 7.7981 7.7981 8.9036 8.9036 8.9036 8.9036 k = 0.0000 0.4459 0.1538 ( 5094 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2229 -9.2229 -9.2229 -9.2229 -6.1396 -6.1396 -6.1396 -6.1396 -0.7667 -0.7667 -0.7667 -0.7667 -0.2140 -0.2140 -0.2140 -0.2140 1.3170 1.3170 1.3170 1.3170 3.3857 3.3857 3.3857 3.3857 4.0073 4.0073 4.0073 4.0073 5.0485 5.0485 5.0485 5.0485 7.2180 7.2180 7.2180 7.2180 7.7864 7.7864 7.7864 7.7864 8.9035 8.9035 8.9035 8.9035 k = 0.0000 0.4459 0.1648 ( 5094 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2229 -9.2229 -9.2229 -9.2229 -6.1394 -6.1394 -6.1394 -6.1394 -0.7666 -0.7666 -0.7666 -0.7666 -0.2114 -0.2114 -0.2114 -0.2114 1.3092 1.3092 1.3092 1.3092 3.3892 3.3892 3.3892 3.3892 4.0071 4.0071 4.0071 4.0071 5.0549 5.0549 5.0549 5.0549 7.2229 7.2229 7.2229 7.2229 7.7760 7.7760 7.7760 7.7760 8.9034 8.9034 8.9034 8.9034 k = 0.0000 0.4459 0.1758 ( 5092 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2230 -9.2230 -9.2230 -9.2230 -6.1393 -6.1393 -6.1393 -6.1393 -0.7665 -0.7665 -0.7665 -0.7665 -0.2092 -0.2092 -0.2092 -0.2092 1.3030 1.3030 1.3030 1.3030 3.3921 3.3921 3.3921 3.3921 4.0069 4.0069 4.0069 4.0069 5.0601 5.0601 5.0601 5.0601 7.2270 7.2270 7.2270 7.2270 7.7675 7.7675 7.7675 7.7675 8.9034 8.9034 8.9034 8.9034 k = 0.0000 0.4459 0.1868 ( 5084 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2230 -9.2230 -9.2230 -9.2230 -6.1393 -6.1393 -6.1393 -6.1393 -0.7664 -0.7664 -0.7664 -0.7664 -0.2076 -0.2076 -0.2076 -0.2076 1.2984 1.2984 1.2984 1.2984 3.3941 3.3941 3.3941 3.3941 4.0068 4.0068 4.0068 4.0068 5.0639 5.0639 5.0639 5.0639 7.2301 7.2301 7.2301 7.2301 7.7611 7.7611 7.7611 7.7611 8.9033 8.9033 8.9033 8.9033 k = 0.0000 0.4459 0.1978 ( 5080 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2230 -9.2230 -9.2230 -9.2230 -6.1392 -6.1392 -6.1392 -6.1392 -0.7664 -0.7664 -0.7664 -0.7664 -0.2067 -0.2067 -0.2067 -0.2067 1.2955 1.2955 1.2955 1.2955 3.3954 3.3954 3.3954 3.3954 4.0067 4.0067 4.0067 4.0067 5.0662 5.0662 5.0662 5.0662 7.2320 7.2320 7.2320 7.2320 7.7572 7.7572 7.7572 7.7572 8.9033 8.9033 8.9033 8.9033 k = 0.0000 0.4459 0.2088 ( 5068 PWs) bands (ev): -14.3361 -14.3361 -14.3361 -14.3361 -9.2230 -9.2230 -9.2230 -9.2230 -6.1392 -6.1392 -6.1392 -6.1392 -0.7664 -0.7664 -0.7664 -0.7664 -0.2063 -0.2063 -0.2063 -0.2063 1.2946 1.2946 1.2946 1.2946 3.3958 3.3958 3.3958 3.3958 4.0067 4.0067 4.0067 4.0067 5.0670 5.0670 5.0670 5.0670 7.2327 7.2327 7.2327 7.2327 7.7559 7.7559 7.7559 7.7559 8.9033 8.9033 8.9033 8.9033 k = 0.5000-0.0000 0.2088 ( 5092 PWs) bands (ev): -14.0905 -14.0905 -14.0905 -14.0905 -8.2157 -8.2157 -8.2157 -8.2157 -7.1798 -7.1798 -7.1798 -7.1798 -1.4925 -1.4925 -1.4925 -1.4925 -1.1903 -1.1903 -1.1903 -1.1903 0.1843 0.1843 0.1843 0.1843 3.6087 3.6087 3.6087 3.6087 4.5545 4.5545 4.5545 4.5545 4.9498 4.9498 4.9498 4.9498 7.9948 7.9948 7.9948 7.9948 8.6334 8.6334 8.6334 8.6334 9.7968 9.7968 9.7968 9.7968 k = 0.5000-0.0000 0.1978 ( 5088 PWs) bands (ev): -14.0905 -14.0905 -14.0905 -14.0905 -8.2156 -8.2156 -8.2156 -8.2156 -7.1799 -7.1799 -7.1799 -7.1799 -1.4928 -1.4928 -1.4928 -1.4928 -1.1904 -1.1904 -1.1904 -1.1904 0.1854 0.1854 0.1854 0.1854 3.6057 3.6057 3.6057 3.6057 4.5563 4.5563 4.5563 4.5563 4.9500 4.9500 4.9500 4.9500 7.9954 7.9954 7.9954 7.9954 8.6345 8.6345 8.6345 8.6345 9.7950 9.7950 9.7950 9.7950 k = 0.5000-0.0000 0.1868 ( 5088 PWs) bands (ev): -14.0905 -14.0905 -14.0905 -14.0905 -8.2155 -8.2155 -8.2155 -8.2155 -7.1800 -7.1800 -7.1800 -7.1800 -1.4935 -1.4935 -1.4935 -1.4935 -1.1908 -1.1908 -1.1908 -1.1908 0.1888 0.1888 0.1888 0.1888 3.5970 3.5970 3.5970 3.5970 4.5615 4.5615 4.5615 4.5615 4.9504 4.9504 4.9504 4.9504 7.9974 7.9974 7.9974 7.9974 8.6376 8.6376 8.6376 8.6376 9.7897 9.7897 9.7897 9.7897 k = 0.5000-0.0000 0.1758 ( 5084 PWs) bands (ev): -14.0905 -14.0905 -14.0905 -14.0905 -8.2153 -8.2153 -8.2153 -8.2153 -7.1803 -7.1803 -7.1803 -7.1803 -1.4947 -1.4947 -1.4947 -1.4947 -1.1915 -1.1915 -1.1915 -1.1915 0.1943 0.1943 0.1943 0.1943 3.5829 3.5829 3.5829 3.5829 4.5698 4.5698 4.5698 4.5698 4.9512 4.9512 4.9512 4.9512 8.0006 8.0006 8.0006 8.0006 8.6427 8.6427 8.6427 8.6427 9.7809 9.7809 9.7809 9.7809 k = 0.5000-0.0000 0.1648 ( 5092 PWs) bands (ev): -14.0905 -14.0905 -14.0905 -14.0905 -8.2151 -8.2151 -8.2151 -8.2151 -7.1806 -7.1806 -7.1806 -7.1806 -1.4964 -1.4964 -1.4964 -1.4964 -1.1924 -1.1924 -1.1924 -1.1924 0.2018 0.2018 0.2018 0.2018 3.5641 3.5641 3.5641 3.5641 4.5807 4.5807 4.5807 4.5807 4.9522 4.9522 4.9522 4.9522 8.0049 8.0049 8.0049 8.0049 8.6500 8.6500 8.6500 8.6500 9.7688 9.7688 9.7688 9.7688 k = 0.5000-0.0000 0.1538 ( 5092 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2148 -8.2148 -8.2148 -8.2148 -7.1810 -7.1810 -7.1810 -7.1810 -1.4984 -1.4984 -1.4984 -1.4984 -1.1935 -1.1935 -1.1935 -1.1935 0.2112 0.2112 0.2112 0.2112 3.5414 3.5414 3.5414 3.5414 4.5936 4.5936 4.5936 4.5936 4.9535 4.9535 4.9535 4.9535 8.0102 8.0102 8.0102 8.0102 8.6594 8.6594 8.6594 8.6594 9.7535 9.7535 9.7535 9.7535 k = 0.5000-0.0000 0.1428 ( 5090 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2145 -8.2145 -8.2145 -8.2145 -7.1815 -7.1815 -7.1815 -7.1815 -1.5008 -1.5008 -1.5008 -1.5008 -1.1947 -1.1947 -1.1947 -1.1947 0.2221 0.2221 0.2221 0.2221 3.5155 3.5155 3.5155 3.5155 4.6079 4.6079 4.6079 4.6079 4.9551 4.9551 4.9551 4.9551 8.0162 8.0162 8.0162 8.0162 8.6710 8.6710 8.6710 8.6710 9.7352 9.7352 9.7352 9.7352 k = 0.5000-0.0000 0.1318 ( 5086 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2141 -8.2141 -8.2141 -8.2141 -7.1820 -7.1820 -7.1820 -7.1820 -1.5035 -1.5035 -1.5035 -1.5035 -1.1961 -1.1961 -1.1961 -1.1961 0.2343 0.2343 0.2343 0.2343 3.4875 3.4875 3.4875 3.4875 4.6229 4.6229 4.6229 4.6229 4.9570 4.9570 4.9570 4.9570 8.0227 8.0227 8.0227 8.0227 8.6846 8.6846 8.6846 8.6846 9.7143 9.7143 9.7143 9.7143 k = 0.5000-0.0000 0.1209 ( 5078 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2136 -8.2136 -8.2136 -8.2136 -7.1826 -7.1826 -7.1826 -7.1826 -1.5063 -1.5063 -1.5063 -1.5063 -1.1974 -1.1974 -1.1974 -1.1974 0.2475 0.2475 0.2475 0.2475 3.4581 3.4581 3.4581 3.4581 4.6381 4.6381 4.6381 4.6381 4.9590 4.9590 4.9590 4.9590 8.0295 8.0295 8.0295 8.0295 8.7002 8.7002 8.7002 8.7002 9.6911 9.6911 9.6911 9.6911 k = 0.5000-0.0000 0.1099 ( 5074 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2132 -8.2132 -8.2132 -8.2132 -7.1832 -7.1832 -7.1832 -7.1832 -1.5093 -1.5093 -1.5093 -1.5093 -1.1989 -1.1989 -1.1989 -1.1989 0.2613 0.2613 0.2613 0.2613 3.4281 3.4281 3.4281 3.4281 4.6531 4.6531 4.6531 4.6531 4.9613 4.9613 4.9613 4.9613 8.0364 8.0364 8.0364 8.0364 8.7178 8.7178 8.7178 8.7178 9.6658 9.6658 9.6658 9.6658 k = 0.5000-0.0000 0.0989 ( 5074 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2128 -8.2128 -8.2128 -8.2128 -7.1838 -7.1838 -7.1838 -7.1838 -1.5123 -1.5123 -1.5123 -1.5123 -1.2002 -1.2002 -1.2002 -1.2002 0.2753 0.2753 0.2753 0.2753 3.3985 3.3985 3.3985 3.3985 4.6673 4.6673 4.6673 4.6673 4.9637 4.9637 4.9637 4.9637 8.0431 8.0431 8.0431 8.0431 8.7370 8.7370 8.7370 8.7370 9.6391 9.6391 9.6391 9.6391 k = 0.5000-0.0000 0.0879 ( 5086 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2123 -8.2123 -8.2123 -8.2123 -7.1844 -7.1844 -7.1844 -7.1844 -1.5152 -1.5152 -1.5152 -1.5152 -1.2016 -1.2016 -1.2016 -1.2016 0.2892 0.2892 0.2892 0.2892 3.3698 3.3698 3.3698 3.3698 4.6805 4.6805 4.6805 4.6805 4.9662 4.9662 4.9662 4.9662 8.0495 8.0495 8.0495 8.0495 8.7575 8.7575 8.7575 8.7575 9.6113 9.6113 9.6113 9.6113 k = 0.5000-0.0000 0.0769 ( 5080 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2119 -8.2119 -8.2119 -8.2119 -7.1850 -7.1850 -7.1850 -7.1850 -1.5181 -1.5181 -1.5181 -1.5181 -1.2028 -1.2028 -1.2028 -1.2028 0.3026 0.3026 0.3026 0.3026 3.3427 3.3427 3.3427 3.3427 4.6925 4.6925 4.6925 4.6925 4.9686 4.9686 4.9686 4.9686 8.0554 8.0554 8.0554 8.0554 8.7790 8.7790 8.7790 8.7790 9.5832 9.5832 9.5832 9.5832 k = 0.5000-0.0000 0.0659 ( 5082 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2115 -8.2115 -8.2115 -8.2115 -7.1855 -7.1855 -7.1855 -7.1855 -1.5207 -1.5207 -1.5207 -1.5207 -1.2039 -1.2039 -1.2039 -1.2039 0.3152 0.3152 0.3152 0.3152 3.3180 3.3180 3.3180 3.3180 4.7031 4.7031 4.7031 4.7031 4.9710 4.9710 4.9710 4.9710 8.0607 8.0607 8.0607 8.0607 8.8008 8.8008 8.8008 8.8008 9.5555 9.5555 9.5555 9.5555 k = 0.5000-0.0000 0.0549 ( 5078 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2112 -8.2112 -8.2112 -8.2112 -7.1860 -7.1860 -7.1860 -7.1860 -1.5230 -1.5230 -1.5230 -1.5230 -1.2049 -1.2049 -1.2049 -1.2049 0.3265 0.3265 0.3265 0.3265 3.2961 3.2961 3.2961 3.2961 4.7121 4.7121 4.7121 4.7121 4.9733 4.9733 4.9733 4.9733 8.0653 8.0653 8.0653 8.0653 8.8220 8.8220 8.8220 8.8220 9.5291 9.5291 9.5291 9.5291 k = 0.5000-0.0000 0.0439 ( 5078 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2109 -8.2109 -8.2109 -8.2109 -7.1864 -7.1864 -7.1864 -7.1864 -1.5251 -1.5251 -1.5251 -1.5251 -1.2057 -1.2057 -1.2057 -1.2057 0.3362 0.3362 0.3362 0.3362 3.2774 3.2774 3.2774 3.2774 4.7196 4.7196 4.7196 4.7196 4.9753 4.9753 4.9753 4.9753 8.0691 8.0691 8.0691 8.0691 8.8419 8.8419 8.8419 8.8419 9.5049 9.5049 9.5049 9.5049 k = 0.5000-0.0000 0.0330 ( 5080 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2106 -8.2106 -8.2106 -8.2106 -7.1867 -7.1867 -7.1867 -7.1867 -1.5267 -1.5267 -1.5267 -1.5267 -1.2064 -1.2064 -1.2064 -1.2064 0.3441 0.3441 0.3441 0.3441 3.2625 3.2625 3.2625 3.2625 4.7254 4.7254 4.7254 4.7254 4.9769 4.9769 4.9769 4.9769 8.0722 8.0722 8.0722 8.0722 8.8592 8.8592 8.8592 8.8592 9.4843 9.4843 9.4843 9.4843 k = 0.5000-0.0000 0.0220 ( 5080 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2104 -8.2104 -8.2104 -8.2104 -7.1870 -7.1870 -7.1870 -7.1870 -1.5279 -1.5279 -1.5279 -1.5279 -1.2068 -1.2068 -1.2068 -1.2068 0.3499 0.3499 0.3499 0.3499 3.2516 3.2516 3.2516 3.2516 4.7295 4.7295 4.7295 4.7295 4.9782 4.9782 4.9782 4.9782 8.0743 8.0743 8.0743 8.0743 8.8728 8.8728 8.8728 8.8728 9.4682 9.4682 9.4682 9.4682 k = 0.5000-0.0000 0.0110 ( 5076 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2103 -8.2103 -8.2103 -8.2103 -7.1871 -7.1871 -7.1871 -7.1871 -1.5286 -1.5286 -1.5286 -1.5286 -1.2071 -1.2071 -1.2071 -1.2071 0.3535 0.3535 0.3535 0.3535 3.2450 3.2450 3.2450 3.2450 4.7320 4.7320 4.7320 4.7320 4.9789 4.9789 4.9789 4.9789 8.0756 8.0756 8.0756 8.0756 8.8815 8.8815 8.8815 8.8815 9.4581 9.4581 9.4581 9.4581 k = 0.5000-0.0000-0.0000 ( 5076 PWs) bands (ev): -14.0906 -14.0906 -14.0906 -14.0906 -8.2103 -8.2103 -8.2103 -8.2103 -7.1872 -7.1872 -7.1872 -7.1872 -1.5288 -1.5288 -1.5288 -1.5288 -1.2072 -1.2072 -1.2072 -1.2072 0.3547 0.3547 0.3547 0.3547 3.2428 3.2428 3.2428 3.2428 4.7328 4.7328 4.7328 4.7328 4.9792 4.9792 4.9792 4.9792 8.0761 8.0761 8.0761 8.0761 8.8845 8.8845 8.8845 8.8845 9.4546 9.4546 9.4546 9.4546 k = 0.5000 0.4459-0.0000 ( 5108 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1000 -8.1000 -8.1000 -8.1000 -1.2018 -1.2018 -1.2018 -1.2018 -0.8175 -0.8175 -0.8175 -0.8175 2.5858 2.5858 2.5858 2.5858 3.0144 3.0144 3.0144 3.0144 3.6460 3.6460 3.6460 3.6460 4.8633 4.8633 4.8633 4.8633 6.1420 6.1420 6.1420 6.1420 9.6259 9.6259 9.6259 9.6259 10.1227 10.1227 10.1227 10.1227 k = 0.5000 0.4459 0.0110 ( 5100 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1000 -8.1000 -8.1000 -8.1000 -1.2018 -1.2018 -1.2018 -1.2018 -0.8175 -0.8175 -0.8175 -0.8175 2.5858 2.5858 2.5858 2.5858 3.0139 3.0139 3.0139 3.0139 3.6471 3.6471 3.6471 3.6471 4.8615 4.8615 4.8615 4.8615 6.1431 6.1431 6.1431 6.1431 9.6256 9.6256 9.6256 9.6256 10.1216 10.1216 10.1216 10.1216 k = 0.5000 0.4459 0.0220 ( 5104 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1000 -8.1000 -8.1000 -8.1000 -1.2019 -1.2019 -1.2019 -1.2019 -0.8173 -0.8173 -0.8173 -0.8173 2.5859 2.5859 2.5859 2.5859 3.0124 3.0124 3.0124 3.0124 3.6506 3.6506 3.6506 3.6506 4.8563 4.8563 4.8563 4.8563 6.1463 6.1463 6.1463 6.1463 9.6247 9.6247 9.6247 9.6247 10.1181 10.1181 10.1181 10.1181 k = 0.5000 0.4459 0.0330 ( 5096 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1000 -8.1000 -8.1000 -8.1000 -1.2020 -1.2020 -1.2020 -1.2020 -0.8169 -0.8169 -0.8169 -0.8169 2.5861 2.5861 2.5861 2.5861 3.0101 3.0101 3.0101 3.0101 3.6564 3.6564 3.6564 3.6564 4.8476 4.8476 4.8476 4.8476 6.1516 6.1516 6.1516 6.1516 9.6232 9.6232 9.6232 9.6232 10.1125 10.1125 10.1125 10.1125 k = 0.5000 0.4459 0.0439 ( 5092 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1000 -8.1000 -8.1000 -8.1000 -1.2022 -1.2022 -1.2022 -1.2022 -0.8165 -0.8165 -0.8165 -0.8165 2.5863 2.5863 2.5863 2.5863 3.0069 3.0069 3.0069 3.0069 3.6644 3.6644 3.6644 3.6644 4.8358 4.8358 4.8358 4.8358 6.1587 6.1587 6.1587 6.1587 9.6210 9.6210 9.6210 9.6210 10.1051 10.1051 10.1051 10.1051 k = 0.5000 0.4459 0.0549 ( 5100 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1000 -8.1000 -8.1000 -8.1000 -1.2024 -1.2024 -1.2024 -1.2024 -0.8160 -0.8160 -0.8160 -0.8160 2.5865 2.5865 2.5865 2.5865 3.0029 3.0029 3.0029 3.0029 3.6745 3.6745 3.6745 3.6745 4.8209 4.8209 4.8209 4.8209 6.1676 6.1676 6.1676 6.1676 9.6180 9.6180 9.6180 9.6180 10.0961 10.0961 10.0961 10.0961 k = 0.5000 0.4459 0.0659 ( 5104 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1001 -8.1001 -8.1001 -8.1001 -1.2026 -1.2026 -1.2026 -1.2026 -0.8153 -0.8153 -0.8153 -0.8153 2.5868 2.5868 2.5868 2.5868 2.9983 2.9983 2.9983 2.9983 3.6866 3.6866 3.6866 3.6866 4.8032 4.8032 4.8032 4.8032 6.1780 6.1780 6.1780 6.1780 9.6142 9.6142 9.6142 9.6142 10.0862 10.0862 10.0862 10.0862 k = 0.5000 0.4459 0.0769 ( 5100 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1001 -8.1001 -8.1001 -8.1001 -1.2029 -1.2029 -1.2029 -1.2029 -0.8146 -0.8146 -0.8146 -0.8146 2.5871 2.5871 2.5871 2.5871 2.9932 2.9932 2.9932 2.9932 3.7005 3.7005 3.7005 3.7005 4.7831 4.7831 4.7831 4.7831 6.1896 6.1896 6.1896 6.1896 9.6095 9.6095 9.6095 9.6095 10.0756 10.0756 10.0756 10.0756 k = 0.5000 0.4459 0.0879 ( 5108 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7131 -8.7131 -8.7131 -8.7131 -8.1001 -8.1001 -8.1001 -8.1001 -1.2032 -1.2032 -1.2032 -1.2032 -0.8138 -0.8138 -0.8138 -0.8138 2.5875 2.5875 2.5875 2.5875 2.9877 2.9877 2.9877 2.9877 3.7161 3.7161 3.7161 3.7161 4.7609 4.7609 4.7609 4.7609 6.2021 6.2021 6.2021 6.2021 9.6039 9.6039 9.6039 9.6039 10.0649 10.0649 10.0649 10.0649 k = 0.5000 0.4459 0.0989 ( 5104 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1001 -8.1001 -8.1001 -8.1001 -1.2035 -1.2035 -1.2035 -1.2035 -0.8130 -0.8130 -0.8130 -0.8130 2.5878 2.5878 2.5878 2.5878 2.9820 2.9820 2.9820 2.9820 3.7331 3.7331 3.7331 3.7331 4.7372 4.7372 4.7372 4.7372 6.2152 6.2152 6.2152 6.2152 9.5975 9.5975 9.5975 9.5975 10.0543 10.0543 10.0543 10.0543 k = 0.5000 0.4459 0.1099 ( 5104 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1002 -8.1002 -8.1002 -8.1002 -1.2039 -1.2039 -1.2039 -1.2039 -0.8122 -0.8122 -0.8122 -0.8122 2.5881 2.5881 2.5881 2.5881 2.9762 2.9762 2.9762 2.9762 3.7511 3.7511 3.7511 3.7511 4.7123 4.7123 4.7123 4.7123 6.2285 6.2285 6.2285 6.2285 9.5904 9.5904 9.5904 9.5904 10.0444 10.0444 10.0444 10.0444 k = 0.5000 0.4459 0.1209 ( 5104 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1002 -8.1002 -8.1002 -8.1002 -1.2042 -1.2042 -1.2042 -1.2042 -0.8114 -0.8114 -0.8114 -0.8114 2.5885 2.5885 2.5885 2.5885 2.9706 2.9706 2.9706 2.9706 3.7698 3.7698 3.7698 3.7698 4.6869 4.6869 4.6869 4.6869 6.2417 6.2417 6.2417 6.2417 9.5827 9.5827 9.5827 9.5827 10.0353 10.0353 10.0353 10.0353 k = 0.5000 0.4459 0.1318 ( 5108 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1002 -8.1002 -8.1002 -8.1002 -1.2045 -1.2045 -1.2045 -1.2045 -0.8106 -0.8106 -0.8106 -0.8106 2.5888 2.5888 2.5888 2.5888 2.9651 2.9651 2.9651 2.9651 3.7887 3.7887 3.7887 3.7887 4.6616 4.6616 4.6616 4.6616 6.2544 6.2544 6.2544 6.2544 9.5748 9.5748 9.5748 9.5748 10.0271 10.0271 10.0271 10.0271 k = 0.5000 0.4459 0.1428 ( 5104 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2048 -1.2048 -1.2048 -1.2048 -0.8099 -0.8099 -0.8099 -0.8099 2.5891 2.5891 2.5891 2.5891 2.9601 2.9601 2.9601 2.9601 3.8073 3.8073 3.8073 3.8073 4.6371 4.6371 4.6371 4.6371 6.2662 6.2662 6.2662 6.2662 9.5669 9.5669 9.5669 9.5669 10.0201 10.0201 10.0201 10.0201 k = 0.5000 0.4459 0.1538 ( 5104 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2050 -1.2050 -1.2050 -1.2050 -0.8092 -0.8092 -0.8092 -0.8092 2.5893 2.5893 2.5893 2.5893 2.9556 2.9556 2.9556 2.9556 3.8249 3.8249 3.8249 3.8249 4.6142 4.6142 4.6142 4.6142 6.2769 6.2769 6.2769 6.2769 9.5595 9.5595 9.5595 9.5595 10.0143 10.0143 10.0143 10.0143 k = 0.5000 0.4459 0.1648 ( 5096 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2052 -1.2052 -1.2052 -1.2052 -0.8087 -0.8087 -0.8087 -0.8087 2.5896 2.5896 2.5896 2.5896 2.9518 2.9518 2.9518 2.9518 3.8409 3.8409 3.8409 3.8409 4.5938 4.5938 4.5938 4.5938 6.2860 6.2860 6.2860 6.2860 9.5528 9.5528 9.5528 9.5528 10.0096 10.0096 10.0096 10.0096 k = 0.5000 0.4459 0.1758 ( 5084 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2054 -1.2054 -1.2054 -1.2054 -0.8082 -0.8082 -0.8082 -0.8082 2.5897 2.5897 2.5897 2.5897 2.9487 2.9487 2.9487 2.9487 3.8544 3.8544 3.8544 3.8544 4.5766 4.5766 4.5766 4.5766 6.2935 6.2935 6.2935 6.2935 9.5473 9.5473 9.5473 9.5473 10.0060 10.0060 10.0060 10.0060 k = 0.5000 0.4459 0.1868 ( 5088 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2055 -1.2055 -1.2055 -1.2055 -0.8079 -0.8079 -0.8079 -0.8079 2.5899 2.5899 2.5899 2.5899 2.9464 2.9464 2.9464 2.9464 3.8647 3.8647 3.8647 3.8647 4.5636 4.5636 4.5636 4.5636 6.2989 6.2989 6.2989 6.2989 9.5430 9.5430 9.5430 9.5430 10.0035 10.0035 10.0035 10.0035 k = 0.5000 0.4459 0.1978 ( 5088 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2056 -1.2056 -1.2056 -1.2056 -0.8077 -0.8077 -0.8077 -0.8077 2.5900 2.5900 2.5900 2.5900 2.9450 2.9450 2.9450 2.9450 3.8712 3.8712 3.8712 3.8712 4.5555 4.5555 4.5555 4.5555 6.3023 6.3023 6.3023 6.3023 9.5404 9.5404 9.5404 9.5404 10.0020 10.0020 10.0020 10.0020 k = 0.5000 0.4459 0.2088 ( 5088 PWs) bands (ev): -13.6803 -13.6803 -13.6803 -13.6803 -8.7130 -8.7130 -8.7130 -8.7130 -8.1003 -8.1003 -8.1003 -8.1003 -1.2056 -1.2056 -1.2056 -1.2056 -0.8076 -0.8076 -0.8076 -0.8076 2.5900 2.5900 2.5900 2.5900 2.9445 2.9445 2.9445 2.9445 3.8735 3.8735 3.8735 3.8735 4.5527 4.5527 4.5527 4.5527 6.3034 6.3034 6.3034 6.3034 9.5395 9.5395 9.5395 9.5395 10.0015 10.0015 10.0015 10.0015 Writing output data file IBrO.save init_run : 0.76s CPU 0.47s WALL ( 1 calls) electrons : 394.21s CPU 274.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.14s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 394.20s CPU 274.83s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.41s WALL ( 420 calls) cegterg : 341.78s CPU 245.08s WALL ( 420 calls) Called by sum_band: Called by *egterg: h_psi : 242.92s CPU 158.02s WALL ( 5791 calls) s_psi : 5.83s CPU 3.80s WALL ( 5791 calls) g_psi : 0.16s CPU 0.13s WALL ( 4951 calls) cdiaghg : 108.54s CPU 85.22s WALL ( 5371 calls) cegterg:over : 13.54s CPU 10.13s WALL ( 4951 calls) cegterg:upda : 6.79s CPU 4.89s WALL ( 4951 calls) cegterg:last : 3.87s CPU 3.44s WALL ( 1260 calls) cdiaghg:chol : 4.14s CPU 3.22s WALL ( 5371 calls) cdiaghg:inve : 1.98s CPU 1.48s WALL ( 5371 calls) cdiaghg:para : 7.01s CPU 5.38s WALL ( 10742 calls) Called by h_psi: h_psi:vloc : 226.98s CPU 147.17s WALL ( 5791 calls) h_psi:vnl : 15.75s CPU 10.71s WALL ( 5791 calls) add_vuspsi : 8.42s CPU 5.40s WALL ( 5791 calls) General routines calbec : 7.31s CPU 5.28s WALL ( 5791 calls) fft : 0.10s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 221.12s CPU 143.29s WALL ( 780248 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.44s CPU 0.55s WALL ( 840 calls) Parallel routines fft_scatter : 163.87s CPU 110.28s WALL ( 780271 calls) PWSCF : 7m21.26s CPU 6m 3.21s WALL This run was terminated on: 22:21:40 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=